2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride

C15H25ClN4O — CID 120575792

IUPAC2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
SMILESCc1ncc(C(=O)NC2CCCNC2C)c(C(C)C)n1.Cl
InChIInChI=1S/C15H24N4O.ClH/c1-9(2)14-12(8-17-11(4)18-14)15(20)19-13-6-5-7-16-10(13)3;/h8-10,13,16H,5-7H2,1-4H3,(H,19,20);1H
InChIKeyKJSTVJBYWVPRSU-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.20
Rot. Bonds3

About 2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride

2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride (PubChem CID 120575792) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
PubChem CID120575792
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
SMILESCc1ncc(C(=O)NC2CCCNC2C)c(C(C)C)n1.Cl
InChIInChI=1S/C15H24N4O.ClH/c1-9(2)14-12(8-17-11(4)18-14)15(20)19-13-6-5-7-16-10(13)3;/h8-10,13,16H,5-7H2,1-4H3,(H,19,20);1H
InChIKeyKJSTVJBYWVPRSU-UHFFFAOYSA-N
XLogP2.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide;dihydrochloride
CID 120576232
7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride
CID 120574506
N-(2-methylpiperidin-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 120575442
4-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-5-carboxamide
CID 114695110
7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120577711
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide
CID 120574886
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822
6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120576857
3,6-dimethyl-N-(2-methylpiperidin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120574234
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
1-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120573415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride (CID 120575792) is 2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride is Cc1ncc(C(=O)NC2CCCNC2C)c(C(C)C)n1.Cl.
What is the InChIKey of 2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride?
The InChIKey is KJSTVJBYWVPRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.ClH/c1-9(2)14-12(8-17-11(4)18-14)15(20)19-13-6-5-7-16-10(13)3;/h8-10,13,16H,5-7H2,1-4H3,(H,19,20);1H.
What are the key properties of 2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride?
2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride has a molecular weight of 312.85 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpiperidin-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 120575792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).