4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine

C11H13ClN2S — CID 80621568

IUPAC4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine
SMILESClc1cc(C2CC2)nc(C2CCCS2)n1
InChIInChI=1S/C11H13ClN2S/c12-10-6-8(7-3-4-7)13-11(14-10)9-2-1-5-15-9/h6-7,9H,1-5H2
InChIKeyUPIVIGUHLXKNLR-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.58
Rot. Bonds2

About 4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine

4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine (PubChem CID 80621568) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine
PubChem CID80621568
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine
SMILESClc1cc(C2CC2)nc(C2CCCS2)n1
InChIInChI=1S/C11H13ClN2S/c12-10-6-8(7-3-4-7)13-11(14-10)9-2-1-5-15-9/h6-7,9H,1-5H2
InChIKeyUPIVIGUHLXKNLR-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
CID 113390255
4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine
CID 63352862
4-chloro-6-cyclopentyl-2-(1,4-oxathian-2-yl)pyrimidine
CID 113390232
2-bromo-4-chloro-6-cyclopropylpyrimidine
CID 130067681
4,6-dichloro-2-cycloundecylpyrimidine
CID 123163685
4-chloro-6-cyclopentyl-5-iodo-2-(thiolan-2-yl)pyrimidine
CID 113390294
2-tert-butyl-4-chloro-6-cyclopropylpyrimidine
CID 63355304
4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine
CID 63355532
N-methyl-6-phenyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80638958
6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80637213
4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine
CID 63353337
4-chloro-5-iodo-6-propan-2-yl-2-(thiolan-2-yl)pyrimidine
CID 80622520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine (CID 80621568) is 4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine is Clc1cc(C2CC2)nc(C2CCCS2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine?
The InChIKey is UPIVIGUHLXKNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c12-10-6-8(7-3-4-7)13-11(14-10)9-2-1-5-15-9/h6-7,9H,1-5H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine?
4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine has a molecular weight of 240.76 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(thiolan-2-yl)pyrimidine is sourced from PubChem (CID 80621568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).