N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide

C19H17BrN4O — CID 109307837

IUPACN-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C19H17BrN4O/c20-15-8-4-5-9-16(15)23-18(25)17-11-13-22-19(24-17)21-12-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,23,25)(H,21,22,24)
InChIKeyFNUIQXBRYSPCLZ-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.15
Rot. Bonds6

About N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide

N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109307837) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109307837
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C19H17BrN4O/c20-15-8-4-5-9-16(15)23-18(25)17-11-13-22-19(24-17)21-12-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,23,25)(H,21,22,24)
InChIKeyFNUIQXBRYSPCLZ-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307786
N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307803
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307799
N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310966
N-(2-tert-butylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310973
2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide
CID 109303716
2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109313098
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide
CID 23632786
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109307837) is N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccccc1Br)c1ccnc(NCCc2ccccc2)n1.
What is the InChIKey of N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is FNUIQXBRYSPCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c20-15-8-4-5-9-16(15)23-18(25)17-11-13-22-19(24-17)21-12-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,23,25)(H,21,22,24).
What are the key properties of N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).