N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

C22H24N4O2 — CID 109351185

IUPACN-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNc1cc(C(=O)Nc2cc(C)cc(C)c2)ncn1
InChIInChI=1S/C22H24N4O2/c1-15-10-16(2)12-18(11-15)26-22(27)19-13-21(25-14-24-19)23-9-8-17-6-4-5-7-20(17)28-3/h4-7,10-14H,8-9H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyKUIOYYDWQJWYNY-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.01
Rot. Bonds7

About N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109351185) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109351185
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNc1cc(C(=O)Nc2cc(C)cc(C)c2)ncn1
InChIInChI=1S/C22H24N4O2/c1-15-10-16(2)12-18(11-15)26-22(27)19-13-21(25-14-24-19)23-9-8-17-6-4-5-7-20(17)28-3/h4-7,10-14H,8-9H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyKUIOYYDWQJWYNY-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351198
4-N-(3,5-dimethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861517
N-butan-2-yl-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340798
6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339848
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279
N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348061
N-(3,5-dimethylphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212083
6-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351230
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305
N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348924
6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348267
methyl 3-[[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109348921

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109351185) is N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is COc1ccccc1CCNc1cc(C(=O)Nc2cc(C)cc(C)c2)ncn1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is KUIOYYDWQJWYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-10-16(2)12-18(11-15)26-22(27)19-13-21(25-14-24-19)23-9-8-17-6-4-5-7-20(17)28-3/h4-7,10-14H,8-9H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109351185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).