4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine

C13H17ClN2OS — CID 113390232

IUPAC4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine
SMILESClc1cc(C2CCCC2)nc(C2CSCCO2)n1
InChIInChI=1S/C13H17ClN2OS/c14-12-7-10(9-3-1-2-4-9)15-13(16-12)11-8-18-6-5-17-11/h7,9,11H,1-6,8H2
InChIKeyKFJAZONAFBLIJX-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.59
Rot. Bonds2

About 4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine

4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine (PubChem CID 113390232) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine
PubChem CID113390232
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine
SMILESClc1cc(C2CCCC2)nc(C2CSCCO2)n1
InChIInChI=1S/C13H17ClN2OS/c14-12-7-10(9-3-1-2-4-9)15-13(16-12)11-8-18-6-5-17-11/h7,9,11H,1-6,8H2
InChIKeyKFJAZONAFBLIJX-UHFFFAOYSA-N
XLogP3.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473601
4-Chloro-6-cyclopentyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 113819726
4-[4-Chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine
CID 121428485
4-[4-Chloro-6-(1-methylsulfanylcyclopropyl)pyrimidin-2-yl]morpholine
CID 145100370
4-Chloro-2-[(1-methylpiperidin-4-yl)oxymethyl]-6-propan-2-ylpyrimidine
CID 171723537
4-Chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine
CID 171723577
4-Chloro-6-propan-2-yl-2-(propoxymethyl)pyrimidine
CID 61812648
4-Chloro-6-cyclopropyl-2-(1-ethoxyethyl)pyrimidine
CID 64539232
4-Chloro-2-(1-ethoxyethyl)-6-propylpyrimidine
CID 64541092
4-Chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine
CID 64541302
4-Chloro-2-(cyclopentylsulfanylmethyl)-6-cyclopropylpyrimidine
CID 65138525
4-Chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine
CID 65139219

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine (CID 113390232) is 4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine is Clc1cc(C2CCCC2)nc(C2CSCCO2)n1.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine?
The InChIKey is KFJAZONAFBLIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c14-12-7-10(9-3-1-2-4-9)15-13(16-12)11-8-18-6-5-17-11/h7,9,11H,1-6,8H2.
What are the key properties of 4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine?
4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine has a molecular weight of 284.81 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine is sourced from PubChem (CID 113390232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).