4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine

C14H11Cl2FN2 — CID 113324783

IUPAC4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2/c1-7-12(9-4-5-11(17)10(15)6-9)18-14(8-2-3-8)19-13(7)16/h4-6,8H,2-3H2,1H3
InChIKeyJWIWTBXCACTUGX-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.78
Rot. Bonds2

About 4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine

4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine (PubChem CID 113324783) has the molecular formula C14H11Cl2FN2 and a molecular weight of 297.16 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
PubChem CID113324783
Molecular FormulaC14H11Cl2FN2
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2/c1-7-12(9-4-5-11(17)10(15)6-9)18-14(8-2-3-8)19-13(7)16/h4-6,8H,2-3H2,1H3
InChIKeyJWIWTBXCACTUGX-UHFFFAOYSA-N
XLogP4.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 80975439
4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine
CID 80975934
4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine
CID 80974850
3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline
CID 80971058
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80975820
4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine
CID 80970542
4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine
CID 81166723
5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 81165822
6-chloro-2-cyclopropyl-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974137
4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80970010
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423
4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole
CID 176575416

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine (CID 113324783) is 4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine?
The InChIKey is JWIWTBXCACTUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2/c1-7-12(9-4-5-11(17)10(15)6-9)18-14(8-2-3-8)19-13(7)16/h4-6,8H,2-3H2,1H3.
What are the key properties of 4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine?
4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine has a molecular weight of 297.16 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine is sourced from PubChem (CID 113324783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).