4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine

C14H13ClN2OS2 — CID 107779311

IUPAC4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
SMILESCc1occc1SCc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H13ClN2OS2/c1-7-9(3)20-14-12(7)13(15)16-11(17-14)6-19-10-4-5-18-8(10)2/h4-5H,6H2,1-3H3
InChIKeyUMPRRMYNKCTYRV-UHFFFAOYSA-N
MW324.86 g/mol
LogP5.16
Rot. Bonds3

About 4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine

4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine (PubChem CID 107779311) has the molecular formula C14H13ClN2OS2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
PubChem CID107779311
Molecular FormulaC14H13ClN2OS2
Molecular Weight324.86 g/mol
Exact Mass324.02
IUPAC Name4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
SMILESCc1occc1SCc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H13ClN2OS2/c1-7-9(3)20-14-12(7)13(15)16-11(17-14)6-19-10-4-5-18-8(10)2/h4-5H,6H2,1-3H3
InChIKeyUMPRRMYNKCTYRV-UHFFFAOYSA-N
XLogP5.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.86
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]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-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146932
2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol
CID 62026693
4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 60875988
2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63497508
4-chloro-5,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 104602712
4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146917
4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
CID 43329294
4-chloro-2-(3,3-dimethylbutyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 114211085
4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 62800354
4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine
CID 43146916
4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine
CID 82316401
methyl 7-(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)heptanoate
CID 18378938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine (CID 107779311) is 4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine is Cc1occc1SCc1nc(Cl)c2c(C)c(C)sc2n1.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine?
The InChIKey is UMPRRMYNKCTYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS2/c1-7-9(3)20-14-12(7)13(15)16-11(17-14)6-19-10-4-5-18-8(10)2/h4-5H,6H2,1-3H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine?
4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine has a molecular weight of 324.86 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 107779311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).