N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C20H26N4O — CID 109323015

IUPACN-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C)nc(N3CCC(C)CC3)n2)c1
InChIInChI=1S/C20H26N4O/c1-13-7-9-24(10-8-13)20-21-16(4)12-18(23-20)19(25)22-17-11-14(2)5-6-15(17)3/h5-6,11-13H,7-10H2,1-4H3,(H,22,25)
InChIKeyRHGXNJNGWKCRQI-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.89
Rot. Bonds3

About N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109323015) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109323015
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C)nc(N3CCC(C)CC3)n2)c1
InChIInChI=1S/C20H26N4O/c1-13-7-9-24(10-8-13)20-21-16(4)12-18(23-20)19(25)22-17-11-14(2)5-6-15(17)3/h5-6,11-13H,7-10H2,1-4H3,(H,22,25)
InChIKeyRHGXNJNGWKCRQI-UHFFFAOYSA-N
XLogP3.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidine-4-carboxamide
CID 109331800
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323043
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323095
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323021
2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326599
6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109323058
N-(2-methoxy-5-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109333973
N-(1,3-benzodioxol-5-yl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323074
N-(2,4-dimethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364166
N-(2,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidine-4-carboxamide
CID 109331799
N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322360
2-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334377

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109323015) is N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(C)nc(N3CCC(C)CC3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is RHGXNJNGWKCRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-7-9-24(10-8-13)20-21-16(4)12-18(23-20)19(25)22-17-11-14(2)5-6-15(17)3/h5-6,11-13H,7-10H2,1-4H3,(H,22,25).
What are the key properties of N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109323015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).