O=c1c(Br)c(-c2ccncc2)nc2n1CCCN2
Name: 3-Bromo-2-pyridin-4-yl-6,7,8,9-tetrahydro-pyrimido[1,2-a]pyrimidin-4-one
SMILES: O=c1c(Br)c(-c2ccncc2)nc2n1CCCN2

Molecular Processing

Molecular formula
C12H11BrN4O
Molecular weight
307.15
Exact mass
306.0116
XLogP
1.88
TPSA
59.81
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
72.53

Supplementary Information

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