4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine

C14H13ClF2N2 — CID 80975705

IUPAC4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H13ClF2N2/c1-7(2)14-18-12(8(3)13(15)19-14)9-4-5-10(16)11(17)6-9/h4-7H,1-3H3
InChIKeyXUVWZYOCHAOMEJ-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.51
Rot. Bonds2

About 4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 80975705) has the molecular formula C14H13ClF2N2 and a molecular weight of 282.72 g/mol. Its IUPAC name is 4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
PubChem CID80975705
Molecular FormulaC14H13ClF2N2
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC Name4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H13ClF2N2/c1-7(2)14-18-12(8(3)13(15)19-14)9-4-5-10(16)11(17)6-9/h4-7H,1-3H3
InChIKeyXUVWZYOCHAOMEJ-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine (CID 80975705) is 4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine is Cc1c(Cl)nc(C(C)C)nc1-c1ccc(F)c(F)c1.
What is the InChIKey of 4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is XUVWZYOCHAOMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2/c1-7(2)14-18-12(8(3)13(15)19-14)9-4-5-10(16)11(17)6-9/h4-7H,1-3H3.
What are the key properties of 4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 282.72 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80975705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).