[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride

C17H16ClN3 — CID 82021904

IUPAC[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3.ClH/c18-12-13-6-8-14(9-7-13)16-10-11-19-17(20-16)15-4-2-1-3-5-15;/h1-11H,12,18H2;1H
InChIKeyAYDUYMPGVBZDFL-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.69
Rot. Bonds3

About [4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride

[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride (PubChem CID 82021904) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is [4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride
PubChem CID82021904
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3.ClH/c18-12-13-6-8-14(9-7-13)16-10-11-19-17(20-16)15-4-2-1-3-5-15;/h1-11H,12,18H2;1H
InChIKeyAYDUYMPGVBZDFL-UHFFFAOYSA-N
XLogP3.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2,4-diphenylpyrimidine;yttrium
CID 59738567
2,4-diphenylpyrimidine;triphenylene
CID 175536318
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2-[4-(3-fluoropropoxy)phenyl]-4-(4-phenylphenyl)pyrimidine
CID 2767763
4-(2,6-dimethylphenyl)-2-phenylpyrimidine
CID 151282962
[4-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine
CID 71042973
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 11523191

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride (CID 82021904) is [4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2ccnc(-c3ccccc3)n2)cc1.
What is the InChIKey of [4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride?
The InChIKey is AYDUYMPGVBZDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3.ClH/c18-12-13-6-8-14(9-7-13)16-10-11-19-17(20-16)15-4-2-1-3-5-15;/h1-11H,12,18H2;1H.
What are the key properties of [4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride?
[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 82021904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).