N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide

C16H20N4O3 — CID 20959480

IUPACN-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N(C)C)nc2C)cc1OC
InChIInChI=1S/C16H20N4O3/c1-10-12(9-17-16(18-10)20(2)3)15(21)19-11-6-7-13(22-4)14(8-11)23-5/h6-9H,1-5H3,(H,19,21)
InChIKeyJGPLOCCVNHWZBG-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.12
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide (PubChem CID 20959480) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
PubChem CID20959480
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N(C)C)nc2C)cc1OC
InChIInChI=1S/C16H20N4O3/c1-10-12(9-17-16(18-10)20(2)3)15(21)19-11-6-7-13(22-4)14(8-11)23-5/h6-9H,1-5H3,(H,19,21)
InChIKeyJGPLOCCVNHWZBG-UHFFFAOYSA-N
XLogP2.12
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648403
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
2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide
CID 131935094
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898343
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 130350451
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269982

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide (CID 20959480) is N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(N(C)C)nc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The InChIKey is JGPLOCCVNHWZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-12(9-17-16(18-10)20(2)3)15(21)19-11-6-7-13(22-4)14(8-11)23-5/h6-9H,1-5H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).