2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one

C12H18N4O2 — CID 136957123

IUPAC2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCC(=O)N2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-9-14-10(8-11(17)15-9)13-5-4-12(18)16-6-2-3-7-16/h8H,2-7H2,1H3,(H2,13,14,15,17)
InChIKeyWVIUOUGKTFVYNI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.50
Rot. Bonds4

About 2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957123) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136957123
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCC(=O)N2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-9-14-10(8-11(17)15-9)13-5-4-12(18)16-6-2-3-7-16/h8H,2-7H2,1H3,(H2,13,14,15,17)
InChIKeyWVIUOUGKTFVYNI-UHFFFAOYSA-N
XLogP0.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Aminoisocytosine-N-methylpyrrolidin-2-one (1/1)
CID 139062115
2-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956171
2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone
CID 154380327
2-(2-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667045
2-(Aminomethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84676229
2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
2-(2-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687779
2-(Azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84697781
2-(3-Aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84699556
2-(3-aminopropyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314514
2-(aminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136316791
2-(3-aminopropyl)-4-(dimethylamino)-1H-pyrimidin-6-one
CID 136316813

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one (CID 136957123) is 2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one is Cc1nc(NCCC(=O)N2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is WVIUOUGKTFVYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-14-10(8-11(17)15-9)13-5-4-12(18)16-6-2-3-7-16/h8H,2-7H2,1H3,(H2,13,14,15,17).
What are the key properties of 2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).