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

C17H21ClN4O2 — CID 109300081

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNc1nccc(C(=O)Nc2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C17H21ClN4O2/c1-11-9-12(2)15(13(18)10-11)22-16(23)14-5-7-20-17(21-14)19-6-4-8-24-3/h5,7,9-10H,4,6,8H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyIYMWPVGGZCRGNZ-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.45
Rot. Bonds7

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

N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide (PubChem CID 109300081) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
PubChem CID109300081
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNc1nccc(C(=O)Nc2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C17H21ClN4O2/c1-11-9-12(2)15(13(18)10-11)22-16(23)14-5-7-20-17(21-14)19-6-4-8-24-3/h5,7,9-10H,4,6,8H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyIYMWPVGGZCRGNZ-UHFFFAOYSA-N
XLogP3.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109299699
N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300058
N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205952
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
N-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299687
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300152
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299710
2-(2-chloro-4,6-dimethylanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317373
N-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109311111
2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109296399
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325499
N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300089

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide (CID 109300081) is N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide is COCCCNc1nccc(C(=O)Nc2c(C)cc(C)cc2Cl)n1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The InChIKey is IYMWPVGGZCRGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-11-9-12(2)15(13(18)10-11)22-16(23)14-5-7-20-17(21-14)19-6-4-8-24-3/h5,7,9-10H,4,6,8H2,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).