4-phenylpyrimidine

C10H8N2 — CID 18923

IUPAC4-phenylpyrimidine
SMILESc1ccc(-c2ccncn2)cc1
InChIInChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
InChIKeyMKLQPIYLZMLAER-UHFFFAOYSA-N
MW156.19 g/mol
LogP2.14
Rot. Bonds1

About 4-phenylpyrimidine

4-phenylpyrimidine (PubChem CID 18923) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-phenylpyrimidine.

Molecular Properties

Compound Name4-phenylpyrimidine
PubChem CID18923
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name4-phenylpyrimidine
SMILESc1ccc(-c2ccncn2)cc1
InChIInChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
InChIKeyMKLQPIYLZMLAER-UHFFFAOYSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinazoline
CID 9210
4-Aminoquinazoline
CID 84759
2-(Benzylamino)pyridine
CID 23362
6-Aminoquinazoline
CID 589288
Msx-122
CID 11687907
4,6-Diphenylpyrimidin-2-amine
CID 619024
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
Amprolium ion
CID 2178
Quinazolin-7-amine
CID 16663769

Frequently Asked Questions

What is the IUPAC name of 4-phenylpyrimidine?
The IUPAC name of 4-phenylpyrimidine (CID 18923) is 4-phenylpyrimidine.
What is the SMILES notation for 4-phenylpyrimidine?
The canonical SMILES for 4-phenylpyrimidine is c1ccc(-c2ccncn2)cc1.
What is the InChIKey of 4-phenylpyrimidine?
The InChIKey is MKLQPIYLZMLAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H.
What are the key properties of 4-phenylpyrimidine?
4-phenylpyrimidine has a molecular weight of 156.19 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpyrimidine is sourced from PubChem (CID 18923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).