COC(=O)c1cnc(N2CCN3CCCC3C2)nc1
이름: methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo [2,1-c]pyrazin-2-yl)pyrimidine-5-carboxylate
SMILES: COC(=O)c1cnc(N2CCN3CCCC3C2)nc1

Molecular Processing

Molecular formula
C13H18N4O2
Molecular weight
262.31
Exact mass
262.143
XLogP
0.55
TPSA
58.56
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
70.18

Supplementary Information

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