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

C12H18N4O2 — CID 136957593

IUPAC2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC(=O)N2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-9-13-10(7-11(17)14-9)15(2)8-12(18)16-5-3-4-6-16/h7H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyZRXACSXHSCLTOF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.14
Rot. Bonds3

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

2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957593) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957593
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC(=O)N2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-9-13-10(7-11(17)14-9)15(2)8-12(18)16-5-3-4-6-16/h7H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyZRXACSXHSCLTOF-UHFFFAOYSA-N
XLogP0.14
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137015554
4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyridazin-6-one
CID 114393085
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 80936172
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 106771112
6-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 68516488
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799693
2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 137015594
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135421456
methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate
CID 66457852
ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136989680
4-[2-(cyclopropylamino)ethyl-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 137008098
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 112698994

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one (CID 136957593) is 2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one is Cc1nc(N(C)CC(=O)N2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZRXACSXHSCLTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-13-10(7-11(17)14-9)15(2)8-12(18)16-5-3-4-6-16/h7H,3-6,8H2,1-2H3,(H,13,14,17).
What are the key properties of 2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).