N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide

C17H22N4O2 — CID 109300058

IUPACN-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNc1nccc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C17H22N4O2/c1-12-6-4-7-13(2)15(12)21-16(22)14-8-10-19-17(20-14)18-9-5-11-23-3/h4,6-8,10H,5,9,11H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyIEHBWLRLNXHGGR-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.79
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide

N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide (PubChem CID 109300058) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
PubChem CID109300058
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNc1nccc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C17H22N4O2/c1-12-6-4-7-13(2)15(12)21-16(22)14-8-10-19-17(20-14)18-9-5-11-23-3/h4,6-8,10H,5,9,11H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyIEHBWLRLNXHGGR-UHFFFAOYSA-N
XLogP2.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300081
2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109299699
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
2-(butylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109296413
N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300089
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300244
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300152
2-(3-methoxypropylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300132
2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109301137
2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109300112
2-(3-methoxypropylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109299997
2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
CID 114098769

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide (CID 109300058) is N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide is COCCCNc1nccc(C(=O)Nc2c(C)cccc2C)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The InChIKey is IEHBWLRLNXHGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-6-4-7-13(2)15(12)21-16(22)14-8-10-19-17(20-14)18-9-5-11-23-3/h4,6-8,10H,5,9,11H2,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).