N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide

C18H23ClN4O3 — CID 109373384

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)nc(C)n1
InChIInChI=1S/C18H23ClN4O3/c1-6-23(7-2)17-10-14(20-11(3)21-17)18(24)22-13-9-15(25-4)12(19)8-16(13)26-5/h8-10H,6-7H2,1-5H3,(H,22,24)
InChIKeyTYWMCDKMHRTORH-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.55
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109373384) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109373384
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)nc(C)n1
InChIInChI=1S/C18H23ClN4O3/c1-6-23(7-2)17-10-14(20-11(3)21-17)18(24)22-13-9-15(25-4)12(19)8-16(13)26-5/h8-10H,6-7H2,1-5H3,(H,22,24)
InChIKeyTYWMCDKMHRTORH-UHFFFAOYSA-N
XLogP3.55
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373325
6-(diethylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109373337
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353375
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332314
6-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370286
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370431
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323660
N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648532
6-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846968
N-cyclohexyl-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109363988

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide (CID 109373384) is N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)nc(C)n1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is TYWMCDKMHRTORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-6-23(7-2)17-10-14(20-11(3)21-17)18(24)22-13-9-15(25-4)12(19)8-16(13)26-5/h8-10H,6-7H2,1-5H3,(H,22,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).