2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

C17H22N4O — CID 109332221

IUPAC2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C17H22N4O/c1-5-21(6-2)17-18-13(4)11-15(20-17)16(22)19-14-10-8-7-9-12(14)3/h7-11H,5-6H2,1-4H3,(H,19,22)
InChIKeyYZYPLDSGEXQRFJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.19
Rot. Bonds5

About 2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109332221) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109332221
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C17H22N4O/c1-5-21(6-2)17-18-13(4)11-15(20-17)16(22)19-14-10-8-7-9-12(14)3/h7-11H,5-6H2,1-4H3,(H,19,22)
InChIKeyYZYPLDSGEXQRFJ-UHFFFAOYSA-N
XLogP3.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329498
2-(diethylamino)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109332241
2-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329512
N-(2,3-dimethylphenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334127
2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336352
N-tert-butyl-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332208
N-(3,4-dichlorophenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332307
N-(2,6-dimethylphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336042
4,6-dimethyl-N-(2-methylphenyl)pyridine-2-carboxamide
CID 19224338
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332314
2-hydrazinyl-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 114220571
N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336367

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109332221) is 2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is CCN(CC)c1nc(C)cc(C(=O)Nc2ccccc2C)n1.
What is the InChIKey of 2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is YZYPLDSGEXQRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-21(6-2)17-18-13(4)11-15(20-17)16(22)19-14-10-8-7-9-12(14)3/h7-11H,5-6H2,1-4H3,(H,19,22).
What are the key properties of 2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide?
2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109332221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).