CC(C)CN1C2=C(C(=NC(=N2)C3=CN=C(N=C3)N)N4CCOCC4)N=C1N5CCNCC5
CAS: 1222105-31-8
이름: 5-[9-(2-methylpropyl)-6-morpholin-4-yl-8-piperazin-1-ylpurin-2-yl]pyrimidin-2-amine
SMILES: CC(C)CN1C2=C(C(=NC(=N2)C3=CN=C(N=C3)N)N4CCOCC4)N=C1N5CCNCC5

Molecular Processing

Molecular formula
C21H30N10O
Molecular weight
438.54
Exact mass
438.2604
XLogP
0.77
TPSA
123.14
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
123.71

Supplementary Information

InChIKey: KBDQYYDPHNMVNZ-UHFFFAOYSA-N
동의어
5-(9-Isobutyl-6-morpholino-8-(piperazin-1-yl)-9H-purin-2-yl)pyrimidin-2-amine1222105-31-8SCHEMBL336384KBDQYYDPHNMVNZ-UHFFFAOYSA-N5-(9-Isobutyl-6-morpholin-4-yl-8-piperazin-1-yl-9H-purin-2-yl)pyrimidin-2-amine5-(9-isobutyl-6-morpholin-4-yl-8-piperazin-1-yl-9H-purin-2-yl)pyrimidin-2-ylamine5-[9-(isobutyl)-6-morpholin-4-yl-8-piperazin-1-yl-9H-purin-2-yl]pyrimidin-2-amine
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