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

C12H16N4O2 — CID 136794231

IUPAC1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H16N4O2/c13-11(18)8-3-4-16(6-8)9-5-10(17)15-12(14-9)7-1-2-7/h5,7-8H,1-4,6H2,(H2,13,18)(H,14,15,17)
InChIKeyLKLWHQLMGQVLNM-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.04
Rot. Bonds3

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

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 136794231) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID136794231
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H16N4O2/c13-11(18)8-3-4-16(6-8)9-5-10(17)15-12(14-9)7-1-2-7/h5,7-8H,1-4,6H2,(H2,13,18)(H,14,15,17)
InChIKeyLKLWHQLMGQVLNM-UHFFFAOYSA-N
XLogP-0.04
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136326816
4-pyrrolidin-1-yl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136345035
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671888
4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136677203
4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136679994
2-cyclopropyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679996
2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752201
2-cyclopropyl-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752207
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136794224
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136794225
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794229
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794233

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 136794231) is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is LKLWHQLMGQVLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-11(18)8-3-4-16(6-8)9-5-10(17)15-12(14-9)7-1-2-7/h5,7-8H,1-4,6H2,(H2,13,18)(H,14,15,17).
What are the key properties of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136794231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).