3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one

C14H20N4O2 — CID 166600731

IUPAC3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one
SMILESCn1cnc(N2CCC(C(=O)N3CCCC3)C2)cc1=O
InChIInChI=1S/C14H20N4O2/c1-16-10-15-12(8-13(16)19)18-7-4-11(9-18)14(20)17-5-2-3-6-17/h8,10-11H,2-7,9H2,1H3
InChIKeySDNJJLMUEKNAOL-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.23
Rot. Bonds2

About 3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one

3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one (PubChem CID 166600731) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one
PubChem CID166600731
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one
SMILESCn1cnc(N2CCC(C(=O)N3CCCC3)C2)cc1=O
InChIInChI=1S/C14H20N4O2/c1-16-10-15-12(8-13(16)19)18-7-4-11(9-18)14(20)17-5-2-3-6-17/h8,10-11H,2-7,9H2,1H3
InChIKeySDNJJLMUEKNAOL-UHFFFAOYSA-N
XLogP0.23
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(1-methyl-6-oxopyrimidin-4-yl)azetidine-3-carboxamide
CID 171326478
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one
CID 171999304
[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602561
N-methyl-N-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-3-yl]methanesulfonamide
CID 166601039
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanone
CID 165434671
[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 128850011
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one
CID 134160396
2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202211
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one (CID 166600731) is 3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one is Cn1cnc(N2CCC(C(=O)N3CCCC3)C2)cc1=O.
What is the InChIKey of 3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one?
The InChIKey is SDNJJLMUEKNAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-16-10-15-12(8-13(16)19)18-7-4-11(9-18)14(20)17-5-2-3-6-17/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one?
3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one has a molecular weight of 276.34 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one is sourced from PubChem (CID 166600731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).