5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one

C9H13N3O — CID 84656984

IUPAC5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
SMILESCc1cnc(C2CCNC2)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-6-4-11-8(12-9(6)13)7-2-3-10-5-7/h4,7,10H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyCBSOMYXUVNDCKF-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.16
Rot. Bonds1

About 5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one

5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one (PubChem CID 84656984) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
PubChem CID84656984
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
SMILESCc1cnc(C2CCNC2)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-6-4-11-8(12-9(6)13)7-2-3-10-5-7/h4,7,10H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyCBSOMYXUVNDCKF-UHFFFAOYSA-N
XLogP0.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-1H-imidazol-2-yl)piperidine
CID 22096510
2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84656987
2-(azepan-4-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84686967
2-chloro-3-methyl-5-pyrrolidin-3-ylpyrazine
CID 83831453
6-methyl-2-pyrrolidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 79795877
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100
2-phenyl-5-(2-pyrrolidin-3-yl-1H-imidazol-5-yl)pyrimidine
CID 59252462
2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204892
2-propan-2-yl-5-pyrrolidin-3-yl-4H-1,2,4-triazol-3-one
CID 136982040
5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 82502898
CID 57417106
CID 57417106
2-methyl-6-pyrrolidin-3-yl-1H-pyridin-4-one
CID 73439726

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one (CID 84656984) is 5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one is Cc1cnc(C2CCNC2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is CBSOMYXUVNDCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-4-11-8(12-9(6)13)7-2-3-10-5-7/h4,7,10H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one?
5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 84656984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).