6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine

C16H12ClN3 — CID 63548572

IUPAC6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
SMILESClc1cc(Nc2ccc(-c3ccccc3)cc2)ncn1
InChIInChI=1S/C16H12ClN3/c17-15-10-16(19-11-18-15)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,18,19,20)
InChIKeyXBRINFMTPABGDA-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.54
Rot. Bonds3

About 6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine

6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine (PubChem CID 63548572) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
PubChem CID63548572
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
SMILESClc1cc(Nc2ccc(-c3ccccc3)cc2)ncn1
InChIInChI=1S/C16H12ClN3/c17-15-10-16(19-11-18-15)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,18,19,20)
InChIKeyXBRINFMTPABGDA-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128
6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 130156888
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
CID 86753852
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
6-chloro-N-(4-dimethylphosphorylphenyl)pyrimidin-4-amine;N-(4-dimethylphosphorylphenyl)-6-phenylpyrimidin-4-amine;phenylboronic acid
CID 158464062
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine
CID 108779659

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine (CID 63548572) is 6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine is Clc1cc(Nc2ccc(-c3ccccc3)cc2)ncn1.
What is the InChIKey of 6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine?
The InChIKey is XBRINFMTPABGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-15-10-16(19-11-18-15)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,18,19,20).
What are the key properties of 6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine?
6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine has a molecular weight of 281.75 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 63548572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).