CC1=CC=CC=C1C2=C(N=C3C(=C2)C=NC(=N3)N)N
Nombre: 6-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
SMILES: CC1=CC=CC=C1C2=C(N=C3C(=C2)C=NC(=N3)N)N

Molecular Processing

Molecular formula
C14H13N5
Molecular weight
251.29
Exact mass
251.1171
XLogP
2.16
TPSA
90.71
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
19
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
0.071
Molar refractivity
76.33

Supplementary Information

InChIKey: PXXVXCWWSSHPCZ-UHFFFAOYSA-N
Sinónimos
SCHEMBL8122405PXXVXCWWSSHPCZ-UHFFFAOYSA-N2,7-diamino-6-o-tolyl-pyrido[2,3-d]pyrimidine6-o-Tolyl-pyrido[2,3-d]pyrimidine-2,7-diamine
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