2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one

C19H29N3O2 — CID 136748628

IUPAC2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)N(CCc2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C19H29N3O2/c1-14(2)6-5-9-19(4)10-7-18(24)22(13-19)11-8-16-12-17(23)21-15(3)20-16/h6,12H,5,7-11,13H2,1-4H3,(H,20,21,23)/t19-/m0/s1
InChIKeyPFTSQLMMOMBMNE-IBGZPJMESA-N
MW331.46 g/mol
LogP3.00
Rot. Bonds6

About 2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one

2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136748628) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136748628
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)N(CCc2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C19H29N3O2/c1-14(2)6-5-9-19(4)10-7-18(24)22(13-19)11-8-16-12-17(23)21-15(3)20-16/h6,12H,5,7-11,13H2,1-4H3,(H,20,21,23)/t19-/m0/s1
InChIKeyPFTSQLMMOMBMNE-IBGZPJMESA-N
XLogP3.00
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-({2-[5-methyl-5-(4-methylpent-3-en-1-yl)-2-oxopiperidin-1-yl]ethyl}amino)pyrimidin-4(3H)-one
CID 136218474
1-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-5-methyl-5-(4-methylpent-3-EN-1-YL)piperidin-2-one
CID 136231863
2-methyl-1'-(4,4,4-trifluorobutanoyl)-5,6-dihydrospiro[cyclopenta[d]pyrimidine-7,3'-piperidin]-4(3H)-one
CID 154816035
N-({1-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)cyclohexanecarboxamide
CID 136069352
6-[1-(Cyclopentylacetyl)-3-piperidinyl]-2-methyl-4-pyrimidinol
CID 136233980
8-[(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 136232329
2-[2-(Dimethylamino)ethyl]-6,6-dimethyl-3,5,7,8-tetrahydroquinazolin-4-one
CID 136378557
2-tert-butyl-5-[5-(5-tert-butyl-1-methyl-6-oxo-2-pyridinyl)-5-methylhexan-2-yl]-1H-pyrimidin-6-one
CID 166901097
Tert-butyl 2-methyl-4-oxospiro[3,5,7,8-tetrahydroquinazoline-6,4'-piperidine]-1'-carboxylate
CID 171569017
N-[2-(6-hydroxy-2-methyl-4-pyrimidinyl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 136100529
N-[2-(6-hydroxy-2-methyl-4-pyrimidinyl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136216789
1-ethyl-N-[2-(6-hydroxy-2-methyl-4-pyrimidinyl)ethyl]-3-methyl-3-piperidinecarboxamide
CID 136216812

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one (CID 136748628) is 2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one is CC(C)=CCC[C@@]1(C)CCC(=O)N(CCc2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is PFTSQLMMOMBMNE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)6-5-9-19(4)10-7-18(24)22(13-19)11-8-16-12-17(23)21-15(3)20-16/h6,12H,5,7-11,13H2,1-4H3,(H,20,21,23)/t19-/m0/s1.
What are the key properties of 2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 331.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136748628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).