Name: 4-N-cyclopentyl-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILES:
CC1=C(N=C(N=C1NC2CCCC2)NCC3=CC=CC=N3)CMolecular Processing
Molecular formula
C17H23N5
Molecular weight
297.41
Exact mass
297.1953
XLogP
3.46
TPSA
62.73
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
88.95
Supplementary Information
InChIKey: NGBPJLPQWUMDTP-UHFFFAOYSA-N
Synonyme
NGBPJLPQWUMDTP-UHFFFAOYSA-NN4-cyclopentyl-5,6-dimethyl-N2-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
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