4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine

C14H13Cl2FN2 — CID 105396018

IUPAC4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1-c1cc(F)ccc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-7(2)14-18-12(8(3)13(16)19-14)10-6-9(17)4-5-11(10)15/h4-7H,1-3H3
InChIKeyJDMMWSIIRLWTMY-UHFFFAOYSA-N
MW299.18 g/mol
LogP5.02
Rot. Bonds2

About 4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 105396018) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
PubChem CID105396018
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1-c1cc(F)ccc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-7(2)14-18-12(8(3)13(16)19-14)10-6-9(17)4-5-11(10)15/h4-7H,1-3H3
InChIKeyJDMMWSIIRLWTMY-UHFFFAOYSA-N
XLogP5.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.18
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(5-fluoro-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975455
4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975705
4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975464
4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975882
4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970109
6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 105396158
4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952149
4-(1-benzothiophen-7-yl)-6-chloro-5-methyl-2-propan-2-ylpyrimidine
CID 81148213
6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 83079114
6-chloro-N-[1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80979435
6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 105396086
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106193591

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine (CID 105396018) is 4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine is Cc1c(Cl)nc(C(C)C)nc1-c1cc(F)ccc1Cl.
What is the InChIKey of 4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is JDMMWSIIRLWTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c1-7(2)14-18-12(8(3)13(16)19-14)10-6-9(17)4-5-11(10)15/h4-7H,1-3H3.
What are the key properties of 4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 299.18 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 105396018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).