N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide

C15H17N3O3 — CID 92648403

IUPACN-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C)nc2C)cc1OC
InChIInChI=1S/C15H17N3O3/c1-9-12(8-16-10(2)17-9)15(19)18-11-5-6-13(20-3)14(7-11)21-4/h5-8H,1-4H3,(H,18,19)
InChIKeyHMEBQOINCGXMJT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.36
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide

N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 92648403) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID92648403
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C)nc2C)cc1OC
InChIInChI=1S/C15H17N3O3/c1-9-12(8-16-10(2)17-9)15(19)18-11-5-6-13(20-3)14(7-11)21-4/h5-8H,1-4H3,(H,18,19)
InChIKeyHMEBQOINCGXMJT-UHFFFAOYSA-N
XLogP2.36
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 20959480
N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 53080300
4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648353
N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648375
N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648532
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
4-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81242553
2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide
CID 53492857
N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide (CID 92648403) is N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(C)nc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is HMEBQOINCGXMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-12(8-16-10(2)17-9)15(19)18-11-5-6-13(20-3)14(7-11)21-4/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 92648403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).