2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C11H14ClN3OS2 — CID 103322551

IUPAC2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(CCS(C)=O)Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H14ClN3OS2/c1-7(4-6-18(2)16)13-9-8-3-5-17-10(8)15-11(12)14-9/h3,5,7H,4,6H2,1-2H3,(H,13,14,15)
InChIKeyJURULQRTKRGDPH-UHFFFAOYSA-N
MW303.84 g/mol
LogP2.91
Rot. Bonds5

About 2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322551) has the molecular formula C11H14ClN3OS2 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103322551
Molecular FormulaC11H14ClN3OS2
Molecular Weight303.84 g/mol
Exact Mass303.03
IUPAC Name2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(CCS(C)=O)Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H14ClN3OS2/c1-7(4-6-18(2)16)13-9-8-3-5-17-10(8)15-11(12)14-9/h3,5,7H,4,6H2,1-2H3,(H,13,14,15)
InChIKeyJURULQRTKRGDPH-UHFFFAOYSA-N
XLogP2.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619
2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322289
N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 113260876
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 103322519
2-chloro-N-pent-1-yn-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 106232721
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 103322396
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333804
2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321359
2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038230
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 103322551) is 2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine is CC(CCS(C)=O)Nc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JURULQRTKRGDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS2/c1-7(4-6-18(2)16)13-9-8-3-5-17-10(8)15-11(12)14-9/h3,5,7H,4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.84 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).