1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol

C11H14ClN3OS — CID 103322549

IUPAC1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H14ClN3OS/c1-6(2)8(16)5-13-9-7-3-4-17-10(7)15-11(12)14-9/h3-4,6,8,16H,5H2,1-2H3,(H,13,14,15)
InChIKeyOXKKIEMYEJUNSE-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.77
Rot. Bonds4

About 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol

1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol (PubChem CID 103322549) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
PubChem CID103322549
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H14ClN3OS/c1-6(2)8(16)5-13-9-7-3-4-17-10(7)15-11(12)14-9/h3-4,6,8,16H,5H2,1-2H3,(H,13,14,15)
InChIKeyOXKKIEMYEJUNSE-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol 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-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145573
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 103322519
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide
CID 103320684
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322289
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279572
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248457
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 103321319

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol (CID 103322549) is 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol is CC(C)C(O)CNc1nc(Cl)nc2sccc12.
What is the InChIKey of 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol?
The InChIKey is OXKKIEMYEJUNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-6(2)8(16)5-13-9-7-3-4-17-10(7)15-11(12)14-9/h3-4,6,8,16H,5H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol?
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol has a molecular weight of 271.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 103322549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).