4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine

C18H15FN2 — CID 154722567

IUPAC4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(F)nc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C18H15FN2/c1-12-7-9-14(10-8-12)16-11-17(19)21-18(20-16)15-6-4-3-5-13(15)2/h3-11H,1-2H3
InChIKeyXTRZWDIDSMABDN-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.57
Rot. Bonds2

About 4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine

4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine (PubChem CID 154722567) has the molecular formula C18H15FN2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine
PubChem CID154722567
Molecular FormulaC18H15FN2
Molecular Weight278.33 g/mol
Exact Mass278.12
IUPAC Name4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(F)nc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C18H15FN2/c1-12-7-9-14(10-8-12)16-11-17(19)21-18(20-16)15-6-4-3-5-13(15)2/h3-11H,1-2H3
InChIKeyXTRZWDIDSMABDN-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
4-Bromo-2,6-diphenylpyrimidine
CID 817533
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
4-Amino-2,6-diphenylpyrimidine
CID 619020

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine?
The IUPAC name of 4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine (CID 154722567) is 4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine?
The canonical SMILES for 4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine is Cc1ccc(-c2cc(F)nc(-c3ccccc3C)n2)cc1.
What is the InChIKey of 4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine?
The InChIKey is XTRZWDIDSMABDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2/c1-12-7-9-14(10-8-12)16-11-17(19)21-18(20-16)15-6-4-3-5-13(15)2/h3-11H,1-2H3.
What are the key properties of 4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine?
4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine has a molecular weight of 278.33 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methylphenyl)-6-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 154722567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).