2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine

C14H12ClF3N2O — CID 56878178

IUPAC2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCOc1cccc(Cl)c1-c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H12ClF3N2O/c1-21-11-4-2-3-10(15)12(11)13-19-8-6-9(20-13)5-7-14(16,17)18/h2-4,6,8H,5,7H2,1H3
InChIKeyMLWHGBSFWXDUBN-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.30
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine

2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 56878178) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID56878178
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCOc1cccc(Cl)c1-c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C14H12ClF3N2O/c1-21-11-4-2-3-10(15)12(11)13-19-8-6-9(20-13)5-7-14(16,17)18/h2-4,6,8H,5,7H2,1H3
InChIKeyMLWHGBSFWXDUBN-UHFFFAOYSA-N
XLogP4.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine
CID 104816907
[2-(2-methoxyphenyl)pyrimidin-4-yl]methanol
CID 62748662
2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine
CID 50970917
1-methoxy-2-(3,3,3-trifluoropropyl)benzene
CID 162553251
8-methoxy-1-(4,4,4-trifluorobutyl)isoquinoline
CID 162752919
8-(2-chloro-6-methoxyphenyl)-2-methoxy-1,5-naphthyridine
CID 86291571
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 113456422
5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
CID 104818317
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56868695
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 115634860
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine
CID 118830574

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine (CID 56878178) is 2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine is COc1cccc(Cl)c1-c1nccc(CCC(F)(F)F)n1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is MLWHGBSFWXDUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-21-11-4-2-3-10(15)12(11)13-19-8-6-9(20-13)5-7-14(16,17)18/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine?
2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 316.71 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 56878178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).