N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide

C19H17BrN4O — CID 109347581

IUPACN-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(Nc1cc(C(=O)Nc2ccc(Br)cc2)ncn1)c1ccccc1
InChIInChI=1S/C19H17BrN4O/c1-13(14-5-3-2-4-6-14)23-18-11-17(21-12-22-18)19(25)24-16-9-7-15(20)8-10-16/h2-13H,1H3,(H,24,25)(H,21,22,23)
InChIKeySGCGPBQFJYEQSU-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.66
Rot. Bonds5

About N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109347581) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109347581
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(Nc1cc(C(=O)Nc2ccc(Br)cc2)ncn1)c1ccccc1
InChIInChI=1S/C19H17BrN4O/c1-13(14-5-3-2-4-6-14)23-18-11-17(21-12-22-18)19(25)24-16-9-7-15(20)8-10-16/h2-13H,1H3,(H,24,25)(H,21,22,23)
InChIKeySGCGPBQFJYEQSU-UHFFFAOYSA-N
XLogP4.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347558
N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170171
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347562
N-(2,4-dichlorophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347616
N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112859381
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
N-[2-(dimethylamino)ethyl]-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109344241
2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369164
ethyl 2-[[6-(1-phenylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109347622
N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356370
N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340731

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109347581) is N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide is CC(Nc1cc(C(=O)Nc2ccc(Br)cc2)ncn1)c1ccccc1.
What is the InChIKey of N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is SGCGPBQFJYEQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13(14-5-3-2-4-6-14)23-18-11-17(21-12-22-18)19(25)24-16-9-7-15(20)8-10-16/h2-13H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).