COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO
이름: methyl 3-[[4-[2-(3-hydroxypropylamino)-4-pyridinyl]pyrimidin-2-yl]amino]benzoate
SMILES: COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO

Molecular Processing

Molecular formula
C20H21N5O3
Molecular weight
379.42
Exact mass
379.1644
XLogP
2.86
TPSA
109.26
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
106.52

Supplementary Information

InChIKey: ODQWLCXYNUFGKU-UHFFFAOYSA-N
동의어
SCHEMBL4903789ODQWLCXYNUFGKU-UHFFFAOYSA-NN-[3-methoxycarbonyl-phenyl]-4-[2-(3-hydroxy-propyl-amino)-4-pyridyl]-2-pyrimidineamineN-[3-methoxycarbonylphenyl]-4-[2-(3-hydroxy-propyl-amino)-4-pyridyl]-2-pyrimidineamine
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