N-(4-bromophenyl)-6-phenylpyrimidin-4-amine

C16H12BrN3 — CID 16876814

IUPACN-(4-bromophenyl)-6-phenylpyrimidin-4-amine
SMILESBrc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C16H12BrN3/c17-13-6-8-14(9-7-13)20-16-10-15(18-11-19-16)12-4-2-1-3-5-12/h1-11H,(H,18,19,20)
InChIKeyKUWUIZHMVMKUMT-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.65
Rot. Bonds3

About N-(4-bromophenyl)-6-phenylpyrimidin-4-amine

N-(4-bromophenyl)-6-phenylpyrimidin-4-amine (PubChem CID 16876814) has the molecular formula C16H12BrN3 and a molecular weight of 326.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-phenylpyrimidin-4-amine
PubChem CID16876814
Molecular FormulaC16H12BrN3
Molecular Weight326.20 g/mol
Exact Mass325.02
IUPAC NameN-(4-bromophenyl)-6-phenylpyrimidin-4-amine
SMILESBrc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C16H12BrN3/c17-13-6-8-14(9-7-13)20-16-10-15(18-11-19-16)12-4-2-1-3-5-12/h1-11H,(H,18,19,20)
InChIKeyKUWUIZHMVMKUMT-UHFFFAOYSA-N
XLogP4.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
CID 117089637
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
N-(6-methyl-3-pyridinyl)-6-phenylpyrimidin-4-amine
CID 58119047
2-bromo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108766928
N-(4-methylbenzene-5-id-1-yl)-6-phenylpyrimidin-4-amine;yttrium
CID 148670419
N-[[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
CID 67251720
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine
CID 108779659
N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773217
4-[[6-(4-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192964
N-[4-(6-anilinopyrimidin-4-yl)phenyl]prop-2-enamide
CID 174978109

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-6-phenylpyrimidin-4-amine (CID 16876814) is N-(4-bromophenyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-6-phenylpyrimidin-4-amine is Brc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1.
What is the InChIKey of N-(4-bromophenyl)-6-phenylpyrimidin-4-amine?
The InChIKey is KUWUIZHMVMKUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3/c17-13-6-8-14(9-7-13)20-16-10-15(18-11-19-16)12-4-2-1-3-5-12/h1-11H,(H,18,19,20).
What are the key properties of N-(4-bromophenyl)-6-phenylpyrimidin-4-amine?
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine has a molecular weight of 326.20 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 16876814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).