5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine

C18H13FN6 — CID 15123640

IUPAC5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)ncc1-c1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN6/c1-12-16(11-20-17(21-12)13-5-3-2-4-6-13)18-22-23-24-25(18)15-9-7-14(19)8-10-15/h2-11H,1H3
InChIKeyFRCHHVLDZXJVIW-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.23
Rot. Bonds3

About 5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine

5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine (PubChem CID 15123640) has the molecular formula C18H13FN6 and a molecular weight of 332.34 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine
PubChem CID15123640
Molecular FormulaC18H13FN6
Molecular Weight332.34 g/mol
Exact Mass332.12
IUPAC Name5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)ncc1-c1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN6/c1-12-16(11-20-17(21-12)13-5-3-2-4-6-13)18-22-23-24-25(18)15-9-7-14(19)8-10-15/h2-11H,1H3
InChIKeyFRCHHVLDZXJVIW-UHFFFAOYSA-N
XLogP3.23
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454
2-Phenyl-4-(1,2,4-Triazol-4-Yl)quinazoline
CID 17436861
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
Pyrazolo[1,5-b]pyridazine deriv. 28
CID 6539370

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine?
The IUPAC name of 5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine (CID 15123640) is 5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine.
What is the SMILES notation for 5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine?
The canonical SMILES for 5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine is Cc1nc(-c2ccccc2)ncc1-c1nnnn1-c1ccc(F)cc1.
What is the InChIKey of 5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine?
The InChIKey is FRCHHVLDZXJVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6/c1-12-16(11-20-17(21-12)13-5-3-2-4-6-13)18-22-23-24-25(18)15-9-7-14(19)8-10-15/h2-11H,1H3.
What are the key properties of 5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine?
5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine has a molecular weight of 332.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine is sourced from PubChem (CID 15123640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).