N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

C16H26N4O — CID 109263399

IUPACN-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(N2CCCC(C)C2)nc1
InChIInChI=1S/C16H26N4O/c1-12(2)6-7-17-15(21)14-9-18-16(19-10-14)20-8-4-5-13(3)11-20/h9-10,12-13H,4-8,11H2,1-3H3,(H,17,21)
InChIKeyZEHNYVCHHTZFFW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds5

About N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109263399) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109263399
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(N2CCCC(C)C2)nc1
InChIInChI=1S/C16H26N4O/c1-12(2)6-7-17-15(21)14-9-18-16(19-10-14)20-8-4-5-13(3)11-20/h9-10,12-13H,4-8,11H2,1-3H3,(H,17,21)
InChIKeyZEHNYVCHHTZFFW-UHFFFAOYSA-N
XLogP2.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253878
N-[(4-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109257604
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109257408
N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109262348
N-(4-ethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264445
2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
CID 109246476
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854369
N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264504
4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 46345501
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109262828
5-(3-methylpiperidin-1-yl)-N-propylpyridine-3-carboxamide
CID 109222844
2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246951

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109263399) is N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is CC(C)CCNC(=O)c1cnc(N2CCCC(C)C2)nc1.
What is the InChIKey of N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is ZEHNYVCHHTZFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)6-7-17-15(21)14-9-18-16(19-10-14)20-8-4-5-13(3)11-20/h9-10,12-13H,4-8,11H2,1-3H3,(H,17,21).
What are the key properties of N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).