2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one

C15H25N3O — CID 135876481

IUPAC2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1nc(C2CCCN(C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-11(2)6-7-14-16-13(9-15(19)17-14)12-5-4-8-18(3)10-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,19)
InChIKeyRTGNVGKSDWNWKI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.17
Rot. Bonds4

About 2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one

2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one (PubChem CID 135876481) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
PubChem CID135876481
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1nc(C2CCCN(C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-11(2)6-7-14-16-13(9-15(19)17-14)12-5-4-8-18(3)10-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,19)
InChIKeyRTGNVGKSDWNWKI-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 136103141
2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136245581
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride
CID 137014957
4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
CID 137014964
6-Fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054613
2-Methyl-6-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-4-pyrimidinol
CID 136232532
2-(2-methoxyethyl)-6-(1-methylpiperidin-4-yl)pyrimidin-4(3H)-one
CID 135860412
2-Methyl-6-(piperidin-4-yl)pyrimidin-4-ol
CID 135876445

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one (CID 135876481) is 2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one is CC(C)CCc1nc(C2CCCN(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is RTGNVGKSDWNWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)6-7-14-16-13(9-15(19)17-14)12-5-4-8-18(3)10-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,19).
What are the key properties of 2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one?
2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 263.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135876481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).