4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one

C14H22N4O2 — CID 137290009

IUPAC4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCN1CC(CN(C)Cc2cc(=O)[nH]c(C)n2)CC1=O
InChIInChI=1S/C14H22N4O2/c1-4-18-8-11(5-14(18)20)7-17(3)9-12-6-13(19)16-10(2)15-12/h6,11H,4-5,7-9H2,1-3H3,(H,15,16,19)
InChIKeyGCNCUVUJVOMQEN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.38
Rot. Bonds5

About 4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one

4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137290009) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137290009
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCN1CC(CN(C)Cc2cc(=O)[nH]c(C)n2)CC1=O
InChIInChI=1S/C14H22N4O2/c1-4-18-8-11(5-14(18)20)7-17(3)9-12-6-13(19)16-10(2)15-12/h6,11H,4-5,7-9H2,1-3H3,(H,15,16,19)
InChIKeyGCNCUVUJVOMQEN-UHFFFAOYSA-N
XLogP0.38
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-1-isobutyl-5-oxopyrrolidine-3-carboxamide
CID 136086553
(3S,4S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 154757153
N-((4-Oxo-4,6,7,8,9,10-hexahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl)cyclopropanecarboxamide
CID 97382294
1-[(2-Isopropyl-6-oxo-1,6-dihydro-4-pyrimidinyl)methyl]-4-piperidinecarboxamide
CID 136087956
2-[[(1-Methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62669516
2-[[3-(Methylaminomethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 63267332
2,6-Dimethyl-3-(pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 63769194
2,6-Dimethyl-3-[2-(3-methylbutylamino)ethyl]pyrimidin-4-one
CID 63793669
2,6-Dimethyl-3-[3-methyl-2-(propylamino)butyl]pyrimidin-4-one
CID 80446670
2,6-Dimethyl-3-[3-methyl-2-(methylamino)butyl]pyrimidin-4-one
CID 80446698
3-[2-(Ethylamino)-3-methylbutyl]-2,6-dimethylpyrimidin-4-one
CID 80446747
2,6-Dimethyl-3-(pyrrolidin-3-yl)-3,4-dihydropyrimidin-4-one
CID 82105270

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one (CID 137290009) is 4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one is CCN1CC(CN(C)Cc2cc(=O)[nH]c(C)n2)CC1=O.
What is the InChIKey of 4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GCNCUVUJVOMQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-18-8-11(5-14(18)20)7-17(3)9-12-6-13(19)16-10(2)15-12/h6,11H,4-5,7-9H2,1-3H3,(H,15,16,19).
What are the key properties of 4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one?
4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137290009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).