N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide

C17H21ClN4O2 — CID 109373325

IUPACN-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)nc(C)n1
InChIInChI=1S/C17H21ClN4O2/c1-5-22(6-2)16-10-14(19-11(3)20-16)17(23)21-12-7-8-15(24-4)13(18)9-12/h7-10H,5-6H2,1-4H3,(H,21,23)
InChIKeyFUGNVYJXXFYMFC-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.55
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109373325) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109373325
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)nc(C)n1
InChIInChI=1S/C17H21ClN4O2/c1-5-22(6-2)16-10-14(19-11(3)20-16)17(23)21-12-7-8-15(24-4)13(18)9-12/h7-10H,5-6H2,1-4H3,(H,21,23)
InChIKeyFUGNVYJXXFYMFC-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-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373384
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404
6-(diethylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109373337
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685
N-(3-chloro-4-methoxyphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360889
N-(3-chloro-4-methoxyphenyl)-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849160
N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850388
N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357414
6-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370286
6-(diethylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124336
6-(dipropylamino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847508
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide (CID 109373325) is N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)nc(C)n1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is FUGNVYJXXFYMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-5-22(6-2)16-10-14(19-11(3)20-16)17(23)21-12-7-8-15(24-4)13(18)9-12/h7-10H,5-6H2,1-4H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-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-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).