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

C12H18N4O2 — CID 136957105

IUPAC2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)C(=O)N2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-8(12(18)16-5-3-4-6-16)13-10-7-11(17)15-9(2)14-10/h7-8H,3-6H2,1-2H3,(H2,13,14,15,17)
InChIKeyVOAOHECJWNVUCA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.50
Rot. Bonds3

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

2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136957105) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136957105
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)C(=O)N2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-8(12(18)16-5-3-4-6-16)13-10-7-11(17)15-9(2)14-10/h7-8H,3-6H2,1-2H3,(H2,13,14,15,17)
InChIKeyVOAOHECJWNVUCA-UHFFFAOYSA-N
XLogP0.50
TPSA78.09 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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Fluoroethylamino)-1-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]pyrimidin-2-one
CID 129227488
2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 142147356
5,6-Dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione
CID 12778105
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-(3-Aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84699556
3-[(1-Oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1-propylpyrazin-2-one
CID 104408395
3-[(1-Oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 104408419
5-methyl-7-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 104408459
1-Ethyl-3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrazin-2-one
CID 104408527
1-Methyl-3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrazin-2-one
CID 104408568
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one (CID 136957105) is 2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC(C)C(=O)N2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VOAOHECJWNVUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(12(18)16-5-3-4-6-16)13-10-7-11(17)15-9(2)14-10/h7-8H,3-6H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).