4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C14H23N3O — CID 135473131

IUPAC4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC2)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)6-7-12-11(3)15-14(16-13(12)18)17-8-4-5-9-17/h10H,4-9H2,1-3H3,(H,15,16,18)
InChIKeyFLPAGOHQZPOJSD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.27
Rot. Bonds4

About 4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135473131) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID135473131
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC2)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)6-7-12-11(3)15-14(16-13(12)18)17-8-4-5-9-17/h10H,4-9H2,1-3H3,(H,15,16,18)
InChIKeyFLPAGOHQZPOJSD-UHFFFAOYSA-N
XLogP2.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 135473131) is 4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is Cc1nc(N2CCCC2)[nH]c(=O)c1CCC(C)C.
What is the InChIKey of 4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is FLPAGOHQZPOJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)6-7-12-11(3)15-14(16-13(12)18)17-8-4-5-9-17/h10H,4-9H2,1-3H3,(H,15,16,18).
What are the key properties of 4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 249.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylbutyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135473131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).