2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride

C17H29ClN4O2 — CID 137095563

IUPAC2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-11-13(15(23)21-16(20-11)17(2,3)4)14(22)19-9-7-12-6-5-8-18-10-12;/h12,18H,5-10H2,1-4H3,(H,19,22)(H,20,21,23);1H
InChIKeyARHSOJKPSBHHBN-UHFFFAOYSA-N
MW356.90 g/mol
LogP1.92
Rot. Bonds4

About 2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride

2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride (PubChem CID 137095563) has the molecular formula C17H29ClN4O2 and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride
PubChem CID137095563
Molecular FormulaC17H29ClN4O2
Molecular Weight356.90 g/mol
Exact Mass356.20
IUPAC Name2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-11-13(15(23)21-16(20-11)17(2,3)4)14(22)19-9-7-12-6-5-8-18-10-12;/h12,18H,5-10H2,1-4H3,(H,19,22)(H,20,21,23);1H
InChIKeyARHSOJKPSBHHBN-UHFFFAOYSA-N
XLogP1.92
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride with MolForge

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Related Compounds

2-tert-butyl-4-methyl-6-oxo-N-[(3S)-piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 137127732
N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137132790
4-tert-butyl-N-(2-piperidin-3-ylethyl)thiadiazole-5-carboxamide
CID 65210288
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
CID 119559461
4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119555064
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555428
2-tert-butyl-4-methyl-5-[4-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 137152242
5-methyl-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 119558239
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride (CID 137095563) is 2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCC1CCCNC1.Cl.
What is the InChIKey of 2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is ARHSOJKPSBHHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.ClH/c1-11-13(15(23)21-16(20-11)17(2,3)4)14(22)19-9-7-12-6-5-8-18-10-12;/h12,18H,5-10H2,1-4H3,(H,19,22)(H,20,21,23);1H.
What are the key properties of 2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride?
2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 1.92, 4 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-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 137095563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).