N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109304797

IUPACN-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(NC(C)c2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-3-27-19-12-8-7-11-17(19)24-20(26)18-13-14-22-21(25-18)23-15(2)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeySPLKMGHDMFHOGG-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.30
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109304797) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109304797
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(NC(C)c2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-3-27-19-12-8-7-11-17(19)24-20(26)18-13-14-22-21(25-18)23-15(2)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeySPLKMGHDMFHOGG-UHFFFAOYSA-N
XLogP4.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304794
N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304802
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303992
N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300089
N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316179
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304715
N-(2-ethyl-6-methylphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304772
N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304745
N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109299802
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109304797) is N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(NC(C)c2ccccc2)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is SPLKMGHDMFHOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-27-19-12-8-7-11-17(19)24-20(26)18-13-14-22-21(25-18)23-15(2)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).