N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide

C23H26N4O2 — CID 112851276

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCc2cccc(OC)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-3-13-24-21-16-20(26-22(27-21)18-9-5-4-6-10-18)23(28)25-14-12-17-8-7-11-19(15-17)29-2/h4-11,15-16H,3,12-14H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyOETDCJOWEUFQDZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.95
Rot. Bonds9

About N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 112851276) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID112851276
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCc2cccc(OC)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-3-13-24-21-16-20(26-22(27-21)18-9-5-4-6-10-18)23(28)25-14-12-17-8-7-11-19(15-17)29-2/h4-11,15-16H,3,12-14H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyOETDCJOWEUFQDZ-UHFFFAOYSA-N
XLogP3.95
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851378
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360220
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368382
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851430
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361970
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853219
4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932545

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide (CID 112851276) is N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)NCCc2cccc(OC)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is OETDCJOWEUFQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-13-24-21-16-20(26-22(27-21)18-9-5-4-6-10-18)23(28)25-14-12-17-8-7-11-19(15-17)29-2/h4-11,15-16H,3,12-14H2,1-2H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).