4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine

C14H13ClF2N2O2 — CID 60996659

IUPAC4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine
SMILESCOc1ccc(-c2nc(C)c(C)c(Cl)n2)cc1OC(F)F
InChIInChI=1S/C14H13ClF2N2O2/c1-7-8(2)18-13(19-12(7)15)9-4-5-10(20-3)11(6-9)21-14(16)17/h4-6,14H,1-3H3
InChIKeyNTRCLDPNERSVNQ-UHFFFAOYSA-N
MW314.72 g/mol
LogP4.02
Rot. Bonds4

About 4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine

4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine (PubChem CID 60996659) has the molecular formula C14H13ClF2N2O2 and a molecular weight of 314.72 g/mol. Its IUPAC name is 4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine
PubChem CID60996659
Molecular FormulaC14H13ClF2N2O2
Molecular Weight314.72 g/mol
Exact Mass314.06
IUPAC Name4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine
SMILESCOc1ccc(-c2nc(C)c(C)c(Cl)n2)cc1OC(F)F
InChIInChI=1S/C14H13ClF2N2O2/c1-7-8(2)18-13(19-12(7)15)9-4-5-10(20-3)11(6-9)21-14(16)17/h4-6,14H,1-3H3
InChIKeyNTRCLDPNERSVNQ-UHFFFAOYSA-N
XLogP4.02
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(3-fluoro-4-methoxyphenyl)-5-iodo-6-methylpyrimidine
CID 66312624
4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine
CID 60996954
4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
CID 43557828
4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine
CID 60996661
4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292818
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
CID 60995827
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
5-(1-chloroethyl)-2-(3,4-dimethoxyphenyl)-4-methylpyrimidine
CID 62771213
4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 66292796
5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326293

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine (CID 60996659) is 4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine is COc1ccc(-c2nc(C)c(C)c(Cl)n2)cc1OC(F)F.
What is the InChIKey of 4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine?
The InChIKey is NTRCLDPNERSVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O2/c1-7-8(2)18-13(19-12(7)15)9-4-5-10(20-3)11(6-9)21-14(16)17/h4-6,14H,1-3H3.
What are the key properties of 4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine?
4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine has a molecular weight of 314.72 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 60996659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).