CC1=CC(=C(C(=C1)C)C2=C(N=C3C(=C2)C=NC(=N3)N)N)C
이름: 6-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILES: CC1=CC(=C(C(=C1)C)C2=C(N=C3C(=C2)C=NC(=N3)N)N)C

Molecular Processing

Molecular formula
C16H17N5
Molecular weight
279.35
Exact mass
279.1484
XLogP
2.78
TPSA
90.71
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
85.8

Supplementary Information

InChIKey: VHUGDPBELIKZGX-UHFFFAOYSA-N
동의어
SCHEMBL8127441VHUGDPBELIKZGX-UHFFFAOYSA-N6-(2,4,6-Trimethyl-phenyl)-pyrido[2,3-d]pyrimidine-2,7-diamine
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