6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide

C17H22N4O — CID 109353293

IUPAC6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N(CC)CC)ncn1
InChIInChI=1S/C17H22N4O/c1-4-13-9-7-8-10-14(13)20-17(22)15-11-16(19-12-18-15)21(5-2)6-3/h7-12H,4-6H2,1-3H3,(H,20,22)
InChIKeyQQZZACZNWNOJQW-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.14
Rot. Bonds6

About 6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide

6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109353293) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109353293
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(N(CC)CC)ncn1
InChIInChI=1S/C17H22N4O/c1-4-13-9-7-8-10-14(13)20-17(22)15-11-16(19-12-18-15)21(5-2)6-3/h7-12H,4-6H2,1-3H3,(H,20,22)
InChIKeyQQZZACZNWNOJQW-UHFFFAOYSA-N
XLogP3.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353335
N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353355
6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349425
N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353354
6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109353352
N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353333
6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347663
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353375
N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347562

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide (CID 109353293) is 6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(N(CC)CC)ncn1.
What is the InChIKey of 6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is QQZZACZNWNOJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-13-9-7-8-10-14(13)20-17(22)15-11-16(19-12-18-15)21(5-2)6-3/h7-12H,4-6H2,1-3H3,(H,20,22).
What are the key properties of 6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).