4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine

C12H13ClN2OS — CID 80690082

IUPAC4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine
SMILESCC1(c2nc(Cl)c3ccsc3n2)CCCCO1
InChIInChI=1S/C12H13ClN2OS/c1-12(5-2-3-6-16-12)11-14-9(13)8-4-7-17-10(8)15-11/h4,7H,2-3,5-6H2,1H3
InChIKeyNRGAHIIWRNMNFJ-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.76
Rot. Bonds1

About 4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine

4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine (PubChem CID 80690082) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine
PubChem CID80690082
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine
SMILESCC1(c2nc(Cl)c3ccsc3n2)CCCCO1
InChIInChI=1S/C12H13ClN2OS/c1-12(5-2-3-6-16-12)11-14-9(13)8-4-7-17-10(8)15-11/h4,7H,2-3,5-6H2,1H3
InChIKeyNRGAHIIWRNMNFJ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-(2-methyloxan-2-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

2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 80681411
4-chloro-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazoline
CID 80690540
4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine
CID 80690391
4-(chloromethyl)-2-(2-methyloxan-2-yl)pyrimidine
CID 80680631
N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80681720
4-(2-methyloxan-2-yl)-1,3,5-triazin-2-amine
CID 80681823
4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 103322706
5-bromo-2-(2-methyloxan-2-yl)-6-phenylpyrimidin-4-amine
CID 80683733
2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322515
4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329026
2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid
CID 80681647
4-chloro-2-(cyclohexylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 62188998

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine (CID 80690082) is 4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine is CC1(c2nc(Cl)c3ccsc3n2)CCCCO1.
What is the InChIKey of 4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine?
The InChIKey is NRGAHIIWRNMNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-12(5-2-3-6-16-12)11-14-9(13)8-4-7-17-10(8)15-11/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine?
4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine has a molecular weight of 268.77 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 80690082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).