2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole

C11H12ClN3OS — CID 106923473

IUPAC2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCCCc1nc(Cl)cc(Sc2nc(C)co2)n1
InChIInChI=1S/C11H12ClN3OS/c1-3-4-9-14-8(12)5-10(15-9)17-11-13-7(2)6-16-11/h5-6H,3-4H2,1-2H3
InChIKeyCWSSMRCCYPMFPN-UHFFFAOYSA-N
MW269.76 g/mol
LogP3.53
Rot. Bonds4

About 2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole

2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (PubChem CID 106923473) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
PubChem CID106923473
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCCCc1nc(Cl)cc(Sc2nc(C)co2)n1
InChIInChI=1S/C11H12ClN3OS/c1-3-4-9-14-8(12)5-10(15-9)17-11-13-7(2)6-16-11/h5-6H,3-4H2,1-2H3
InChIKeyCWSSMRCCYPMFPN-UHFFFAOYSA-N
XLogP3.53
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-6-(3,4-dichlorophenyl)sulfanyl-2-propylpyrimidine
CID 80945057
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 103525456
4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine
CID 80945968
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine
CID 106928540
4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 80945971
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 106928397
4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
CID 80946529
4-benzylsulfanyl-6-chloro-2-propylpyrimidine
CID 80945651
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-amine
CID 106928438
4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine
CID 107780879
4-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-propylpyrimidine
CID 80945247
4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine
CID 80946262

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (CID 106923473) is 2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is CCCc1nc(Cl)cc(Sc2nc(C)co2)n1.
What is the InChIKey of 2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The InChIKey is CWSSMRCCYPMFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-3-4-9-14-8(12)5-10(15-9)17-11-13-7(2)6-16-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole has a molecular weight of 269.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 106923473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).