6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

C16H25N3O2 — CID 90649677

IUPAC6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCC1(C)CCN(C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1
InChIInChI=1S/C16H25N3O2/c1-15(2,3)12-10-11(17-14(21)18-12)13(20)19-8-6-16(4,5)7-9-19/h10H,6-9H2,1-5H3,(H,17,18,21)
InChIKeyRADGJRNWGMMCJO-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.33
Rot. Bonds1

About 6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 90649677) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID90649677
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCC1(C)CCN(C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1
InChIInChI=1S/C16H25N3O2/c1-15(2,3)12-10-11(17-14(21)18-12)13(20)19-8-6-16(4,5)7-9-19/h10H,6-9H2,1-5H3,(H,17,18,21)
InChIKeyRADGJRNWGMMCJO-UHFFFAOYSA-N
XLogP2.33
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-6-{[4-(piperidin-1-ylmethyl)piperidin-1-yl]carbonyl}pyrimidin-2(1H)-one
CID 91777675
6-tert-butyl-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 99970992
4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]dec-2-yl)-3-oxopropyl]pyrimidin-2(1H)-one
CID 50969823
4-(3,9-diazaspiro[5.6]dodec-9-ylcarbonyl)-6-isobutylpyrimidin-2(1H)-one
CID 56704974
6-tert-butyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-methyl-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 77092176
6-tert-butyl-N-(1-isopropylpiperidin-4-yl)-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 90647828
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693
6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 77094035
6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 86283934
1-[(6-Tert-butyl-2-oxo-2,3-dihydropyrimidin-4-yl)carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 86285734
6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 86286362
4-tert-butyl-6-[(3,3,4-trimethylpiperazin-1-yl)carbonyl]pyrimidin-2(1H)-one
CID 91769241

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (CID 90649677) is 6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is CC1(C)CCN(C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1.
What is the InChIKey of 6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is RADGJRNWGMMCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-15(2,3)12-10-11(17-14(21)18-12)13(20)19-8-6-16(4,5)7-9-19/h10H,6-9H2,1-5H3,(H,17,18,21).
What are the key properties of 6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 291.40 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 90649677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).