4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine

C12H13ClN2OS — CID 65335000

IUPAC4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(C3CCCOC3)nc2s1
InChIInChI=1S/C12H13ClN2OS/c1-7-5-9-10(13)14-11(15-12(9)17-7)8-3-2-4-16-6-8/h5,8H,2-4,6H2,1H3
InChIKeyPAQNPHVIIISJJY-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.55
Rot. Bonds1

About 4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine

4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine (PubChem CID 65335000) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine
PubChem CID65335000
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(C3CCCOC3)nc2s1
InChIInChI=1S/C12H13ClN2OS/c1-7-5-9-10(13)14-11(15-12(9)17-7)8-3-2-4-16-6-8/h5,8H,2-4,6H2,1H3
InChIKeyPAQNPHVIIISJJY-UHFFFAOYSA-N
XLogP3.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine 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-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 65353789
4,6-dichloro-2-(oxan-3-yl)pyrimidine
CID 63738240
4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine
CID 65415094
4,6-dichloro-5-(2-methylphenyl)-2-(oxan-3-yl)pyrimidine
CID 79423661
4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine
CID 79434236
4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine
CID 79431883
4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309368
3,4-dichloro-6-(oxan-3-yl)pyridazine
CID 117105547
N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine
CID 65333930
N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65333931
4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 82309122
2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65333979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine (CID 65335000) is 4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine is Cc1cc2c(Cl)nc(C3CCCOC3)nc2s1.
What is the InChIKey of 4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine?
The InChIKey is PAQNPHVIIISJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-7-5-9-10(13)14-11(15-12(9)17-7)8-3-2-4-16-6-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine?
4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine has a molecular weight of 268.77 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 65335000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).