1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

C12H18N4O2 — CID 136794234

IUPAC1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1nc(N2CCC(C(N)=O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-7(2)12-14-9(5-10(17)15-12)16-4-3-8(6-16)11(13)18/h5,7-8H,3-4,6H2,1-2H3,(H2,13,18)(H,14,15,17)
InChIKeyWCNBJRLQZOFIMC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.20
Rot. Bonds3

About 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 136794234) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID136794234
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1nc(N2CCC(C(N)=O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-7(2)12-14-9(5-10(17)15-12)16-4-3-8(6-16)11(13)18/h5,7-8H,3-4,6H2,1-2H3,(H2,13,18)(H,14,15,17)
InChIKeyWCNBJRLQZOFIMC-UHFFFAOYSA-N
XLogP0.20
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956171
2-ethyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974111
2-(Azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84697781
2-(azetidin-3-yl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314485
4-(dimethylamino)-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136314511
4-(dimethylamino)-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136326816
2-(2-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326818
4-pyrrolidin-1-yl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136345035
4-(3-amino-4-methylpyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136677202
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207
4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136679994
2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680001

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 136794234) is 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is CC(C)c1nc(N2CCC(C(N)=O)C2)cc(=O)[nH]1.
What is the InChIKey of 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is WCNBJRLQZOFIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7(2)12-14-9(5-10(17)15-12)16-4-3-8(6-16)11(13)18/h5,7-8H,3-4,6H2,1-2H3,(H2,13,18)(H,14,15,17).
What are the key properties of 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136794234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).