2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine

C18H19F3N2O3S — CID 10453591

IUPAC2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OCC3CCCC3)n2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-27(24,25)14-8-6-13(7-9-14)15-10-16(18(19,20)21)23-17(22-15)26-11-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3
InChIKeyYECOEALYOOMIEB-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.13
Rot. Bonds5

About 2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine

2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine (PubChem CID 10453591) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
PubChem CID10453591
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OCC3CCCC3)n2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-27(24,25)14-8-6-13(7-9-14)15-10-16(18(19,20)21)23-17(22-15)26-11-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3
InChIKeyYECOEALYOOMIEB-UHFFFAOYSA-N
XLogP4.13
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 59177746
4-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]benzonitrile
CID 134201873
4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 44545556
4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidine
CID 68627815
acetic acid;[2-(cyclopentylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 171924494
3-(cyclopentylmethoxy)-5-[2-(4-methylsulfonylphenyl)ethynyl]benzenethiol
CID 141163431
1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 22661016
[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567813
2-(2-cyclopentylethyl)-6-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
CID 23026110
4-(cyclopentylmethoxy)benzenesulfonyl chloride
CID 61343179
N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 15999570
2-(cyclopentylmethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876710

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine (CID 10453591) is 2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine is CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OCC3CCCC3)n2)cc1.
What is the InChIKey of 2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is YECOEALYOOMIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-27(24,25)14-8-6-13(7-9-14)15-10-16(18(19,20)21)23-17(22-15)26-11-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3.
What are the key properties of 2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine?
2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 400.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 10453591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).