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

C15H25ClN4O2 — CID 137019858

IUPAC2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C15H24N4O2.ClH/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);1H
InChIKeyINJNXXBQUAQMEN-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.28
Rot. Bonds2

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

2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride (PubChem CID 137019858) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride
PubChem CID137019858
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC Name2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C15H24N4O2.ClH/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);1H
InChIKeyINJNXXBQUAQMEN-UHFFFAOYSA-N
XLogP1.28
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride (CID 137019858) is 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCNCC1.Cl.
What is the InChIKey of 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is INJNXXBQUAQMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.ClH/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);1H.
What are the key properties of 2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride?
2-tert-butyl-4-methyl-6-oxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.28, 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;hydrochloride is sourced from PubChem (CID 137019858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).