N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide

C15H16ClN3O3 — CID 92648532

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(C)nc2C)c(OC)cc1Cl
InChIInChI=1S/C15H16ClN3O3/c1-8-10(7-17-9(2)18-8)15(20)19-12-6-13(21-3)11(16)5-14(12)22-4/h5-7H,1-4H3,(H,19,20)
InChIKeyDRFCJMRZNOCOHO-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.02
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 92648532) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID92648532
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(C)nc2C)c(OC)cc1Cl
InChIInChI=1S/C15H16ClN3O3/c1-8-10(7-17-9(2)18-8)15(20)19-12-6-13(21-3)11(16)5-14(12)22-4/h5-7H,1-4H3,(H,19,20)
InChIKeyDRFCJMRZNOCOHO-UHFFFAOYSA-N
XLogP3.02
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864497
N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648403
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692030
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide
CID 17433781
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715402
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55415381
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide (CID 92648532) is N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide is COc1cc(NC(=O)c2cnc(C)nc2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is DRFCJMRZNOCOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-8-10(7-17-9(2)18-8)15(20)19-12-6-13(21-3)11(16)5-14(12)22-4/h5-7H,1-4H3,(H,19,20).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 92648532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).