2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide

C15H24N4O2 — CID 137019859

IUPAC2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCNCC1
InChIInChI=1S/C15H24N4O2/c1-9-11(12(20)18-10-5-7-16-8-6-10)13(21)19-14(17-9)15(2,3)4/h10,16H,5-8H2,1-4H3,(H,18,20)(H,17,19,21)
InChIKeyCLRJFSIESKXHRM-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.86
Rot. Bonds2

About 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide

2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide (PubChem CID 137019859) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
PubChem CID137019859
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCNCC1
InChIInChI=1S/C15H24N4O2/c1-9-11(12(20)18-10-5-7-16-8-6-10)13(21)19-14(17-9)15(2,3)4/h10,16H,5-8H2,1-4H3,(H,18,20)(H,17,19,21)
InChIKeyCLRJFSIESKXHRM-UHFFFAOYSA-N
XLogP0.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137161908
2-tert-butyl-4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrimidine-5-carboxamide
CID 137161909
2-tert-butyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137850935
2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 154781994
2,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine-3-carboxamide
CID 20452142
N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide
CID 142708892
2-hydroxy-4-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 153548840
3-(Aminomethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 105447164
2-cyclopropyl-4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 135996275
4-methyl-5-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135996276
4-methyl-6-oxo-N-(6-oxopiperidin-3-yl)-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 136044830
2-cyclopropyl-4-methyl-6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrimidine-5-carboxamide
CID 136044831

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide (CID 137019859) is 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCNCC1.
What is the InChIKey of 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is CLRJFSIESKXHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9-11(12(20)18-10-5-7-16-8-6-10)13(21)19-14(17-9)15(2,3)4/h10,16H,5-8H2,1-4H3,(H,18,20)(H,17,19,21).
What are the key properties of 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide?
2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 137019859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).