N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

C22H24N4O2 — CID 109308577

IUPACN-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(NCCc2ccccc2OC)n1
InChIInChI=1S/C22H24N4O2/c1-3-16-8-4-6-10-18(16)25-21(27)19-13-15-24-22(26-19)23-14-12-17-9-5-7-11-20(17)28-2/h4-11,13,15H,3,12,14H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyZNVQEHWZLOTODZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.95
Rot. Bonds8

About N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109308577) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109308577
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(NCCc2ccccc2OC)n1
InChIInChI=1S/C22H24N4O2/c1-3-16-8-4-6-10-18(16)25-21(27)19-13-15-24-22(26-19)23-14-12-17-9-5-7-11-20(17)28-2/h4-11,13,15H,3,12,14H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyZNVQEHWZLOTODZ-UHFFFAOYSA-N
XLogP3.95
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308588
N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310966
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109309620
2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109313098
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296927
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307030
2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304859
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306192
2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308648
N-[2-(2-methoxyphenyl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306886

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109308577) is N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1ccnc(NCCc2ccccc2OC)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is ZNVQEHWZLOTODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-16-8-4-6-10-18(16)25-21(27)19-13-15-24-22(26-19)23-14-12-17-9-5-7-11-20(17)28-2/h4-11,13,15H,3,12,14H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).