1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile

C15H12FN3 — CID 116895941

IUPAC1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile
SMILESCc1cc(-c2ccc(F)cc2)nc(C2(C#N)CC2)n1
InChIInChI=1S/C15H12FN3/c1-10-8-13(11-2-4-12(16)5-3-11)19-14(18-10)15(9-17)6-7-15/h2-5,8H,6-7H2,1H3
InChIKeyUNMOFOLPGOJMNH-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.15
Rot. Bonds2

About 1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile

1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile (PubChem CID 116895941) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile
PubChem CID116895941
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile
SMILESCc1cc(-c2ccc(F)cc2)nc(C2(C#N)CC2)n1
InChIInChI=1S/C15H12FN3/c1-10-8-13(11-2-4-12(16)5-3-11)19-14(18-10)15(9-17)6-7-15/h2-5,8H,6-7H2,1H3
InChIKeyUNMOFOLPGOJMNH-UHFFFAOYSA-N
XLogP3.15
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]cyclobutane-1-carbonitrile
CID 116896126
1-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbonitrile
CID 116895934
1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile
CID 116896131
2,6-bis(4-fluorophenyl)pyridine-4-carbonitrile
CID 46313546
4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine
CID 95430396
[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine
CID 116896148
6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11097920
2-(dimethylamino)-6-(4-fluorophenyl)pyrimidine-4-carbonitrile
CID 39346399
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896010
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896049
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881851
4-chloro-2-(4-fluorophenyl)-6-methylpyrimidine
CID 23362081

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile (CID 116895941) is 1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile is Cc1cc(-c2ccc(F)cc2)nc(C2(C#N)CC2)n1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile?
The InChIKey is UNMOFOLPGOJMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c1-10-8-13(11-2-4-12(16)5-3-11)19-14(18-10)15(9-17)6-7-15/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile?
1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile has a molecular weight of 253.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116895941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).