N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide

C17H21ClN4O2 — CID 109353375

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)ncn1
InChIInChI=1S/C17H21ClN4O2/c1-5-22(6-2)16-9-14(19-10-20-16)17(23)21-13-7-11(3)12(18)8-15(13)24-4/h7-10H,5-6H2,1-4H3,(H,21,23)
InChIKeyJQBCLOUWRADUCU-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.55
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide (PubChem CID 109353375) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
PubChem CID109353375
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)ncn1
InChIInChI=1S/C17H21ClN4O2/c1-5-22(6-2)16-9-14(19-10-20-16)17(23)21-13-7-11(3)12(18)8-15(13)24-4/h7-10H,5-6H2,1-4H3,(H,21,23)
InChIKeyJQBCLOUWRADUCU-UHFFFAOYSA-N
XLogP3.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332314
N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373384
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109355962
N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353355
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 62238327
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106836
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863554
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291518
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50779982
2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109175621

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide (CID 109353375) is N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)ncn1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The InChIKey is JQBCLOUWRADUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-5-22(6-2)16-9-14(19-10-20-16)17(23)21-13-7-11(3)12(18)8-15(13)24-4/h7-10H,5-6H2,1-4H3,(H,21,23).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).