2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one

C12H18N4O — CID 84697781

IUPAC2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
SMILESCn1c(C2CNC2)nc(N2CCCC2)cc1=O
InChIInChI=1S/C12H18N4O/c1-15-11(17)6-10(16-4-2-3-5-16)14-12(15)9-7-13-8-9/h6,9,13H,2-5,7-8H2,1H3
InChIKeyRJPGITDWKVVWCY-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.07
Rot. Bonds2

About 2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one

2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one (PubChem CID 84697781) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
PubChem CID84697781
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
SMILESCn1c(C2CNC2)nc(N2CCCC2)cc1=O
InChIInChI=1S/C12H18N4O/c1-15-11(17)6-10(16-4-2-3-5-16)14-12(15)9-7-13-8-9/h6,9,13H,2-5,7-8H2,1H3
InChIKeyRJPGITDWKVVWCY-UHFFFAOYSA-N
XLogP0.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956171
2-ethyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974111
2-(Azetidin-3-yl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84676226
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-(3-Aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84699556
2-(azetidin-3-yl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314485
4-(dimethylamino)-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136314511
2-(3-aminopropyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314514
2-(azetidin-3-yl)-4-(dimethylamino)-1H-pyrimidin-6-one
CID 136316790
4-(dimethylamino)-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136326816
2-(1-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326817

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The IUPAC name of 2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one (CID 84697781) is 2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The canonical SMILES for 2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one is Cn1c(C2CNC2)nc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
The InChIKey is RJPGITDWKVVWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15-11(17)6-10(16-4-2-3-5-16)14-12(15)9-7-13-8-9/h6,9,13H,2-5,7-8H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one?
2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one has a molecular weight of 234.30 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 84697781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).