4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine

C10H13ClN2S — CID 80951552

IUPAC4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine
SMILESCC(C)Sc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H13ClN2S/c1-6(2)14-9-5-8(11)12-10(13-9)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeySRMHXIWMSUOCJZ-UHFFFAOYSA-N
MW228.75 g/mol
LogP3.51
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine

4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine (PubChem CID 80951552) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine
PubChem CID80951552
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine
SMILESCC(C)Sc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C10H13ClN2S/c1-6(2)14-9-5-8(11)12-10(13-9)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeySRMHXIWMSUOCJZ-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine (CID 80951552) is 4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine is CC(C)Sc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine?
The InChIKey is SRMHXIWMSUOCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S/c1-6(2)14-9-5-8(11)12-10(13-9)7-3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine?
4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine has a molecular weight of 228.75 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine is sourced from PubChem (CID 80951552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).