4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine

C19H13ClF4N2 — CID 89159949

IUPAC4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine
SMILESCCc1cccc(-c2c(Cl)nc(C(F)(F)F)nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H13ClF4N2/c1-2-11-4-3-5-13(10-11)15-16(12-6-8-14(21)9-7-12)25-18(19(22,23)24)26-17(15)20/h3-10H,2H2,1H3
InChIKeyKMWZHHYPLVEODM-UHFFFAOYSA-N
MW380.77 g/mol
LogP6.18
Rot. Bonds3

About 4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine

4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 89159949) has the molecular formula C19H13ClF4N2 and a molecular weight of 380.77 g/mol. Its IUPAC name is 4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine
PubChem CID89159949
Molecular FormulaC19H13ClF4N2
Molecular Weight380.77 g/mol
Exact Mass380.07
IUPAC Name4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine
SMILESCCc1cccc(-c2c(Cl)nc(C(F)(F)F)nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H13ClF4N2/c1-2-11-4-3-5-13(10-11)15-16(12-6-8-14(21)9-7-12)25-18(19(22,23)24)26-17(15)20/h3-10H,2H2,1H3
InChIKeyKMWZHHYPLVEODM-UHFFFAOYSA-N
XLogP6.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.77
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
CID 10126186
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 10172375
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenyl)pyrimidin-4-amine
CID 10286977
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,4-difluorophenyl)pyrimidin-4-amine
CID 10172706
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10173174
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(2-fluorophenyl)pyrimidin-4-amine
CID 10215628
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10237877
4-(4-Chlorophenyl)-6-(dimethylamino)-2-phenyl-5-pyrimidinecarbonitrile
CID 1480433
4-Chloro-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 614101

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine (CID 89159949) is 4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine is CCc1cccc(-c2c(Cl)nc(C(F)(F)F)nc2-c2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is KMWZHHYPLVEODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N2/c1-2-11-4-3-5-13(10-11)15-16(12-6-8-14(21)9-7-12)25-18(19(22,23)24)26-17(15)20/h3-10H,2H2,1H3.
What are the key properties of 4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine?
4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 380.77 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-ethylphenyl)-6-(4-fluorophenyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 89159949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).