6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

C22H24N4O2 — CID 109351251

IUPAC6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(Nc2cccc(C)c2C)ncn1
InChIInChI=1S/C22H24N4O2/c1-15-7-6-9-18(16(15)2)26-21-13-19(24-14-25-21)22(27)23-12-11-17-8-4-5-10-20(17)28-3/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyUGQSGYVBPJBQPK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.82
Rot. Bonds7

About 6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109351251) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109351251
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(Nc2cccc(C)c2C)ncn1
InChIInChI=1S/C22H24N4O2/c1-15-7-6-9-18(16(15)2)26-21-13-19(24-14-25-21)22(27)23-12-11-17-8-4-5-10-20(17)28-3/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyUGQSGYVBPJBQPK-UHFFFAOYSA-N
XLogP3.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dimethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350580
6-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351230
6-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351274
N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109348624
6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339848
6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348977
6-(2-ethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109350972
6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348267
2-N-[2-(2-methoxyphenyl)ethyl]-6-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098628
6-(2,3-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347442
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
4-(2-ethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214285

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (CID 109351251) is 6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is COc1ccccc1CCNC(=O)c1cc(Nc2cccc(C)c2C)ncn1.
What is the InChIKey of 6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is UGQSGYVBPJBQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-7-6-9-18(16(15)2)26-21-13-19(24-14-25-21)22(27)23-12-11-17-8-4-5-10-20(17)28-3/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109351251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).