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

C15H25N3O — CID 135459246

IUPAC4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCCC2)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)7-8-13-12(3)16-15(17-14(13)19)18-9-5-4-6-10-18/h11H,4-10H2,1-3H3,(H,16,17,19)
InChIKeyXMDFGCBEVHNCRC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds4

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

4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135459246) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID135459246
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCCC2)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)7-8-13-12(3)16-15(17-14(13)19)18-9-5-4-6-10-18/h11H,4-10H2,1-3H3,(H,16,17,19)
InChIKeyXMDFGCBEVHNCRC-UHFFFAOYSA-N
XLogP2.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.66
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-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 135459246) is 4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one is Cc1nc(N2CCCCC2)[nH]c(=O)c1CCC(C)C.
What is the InChIKey of 4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is XMDFGCBEVHNCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)7-8-13-12(3)16-15(17-14(13)19)18-9-5-4-6-10-18/h11H,4-10H2,1-3H3,(H,16,17,19).
What are the key properties of 4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one?
4-methyl-5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 263.38 g/mol, XLogP of 2.66, 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-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).