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

C11H14ClN3OS — CID 103322519

IUPAC3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H14ClN3OS/c1-6(5-16)7(2)13-9-8-3-4-17-10(8)15-11(12)14-9/h3-4,6-7,16H,5H2,1-2H3,(H,13,14,15)
InChIKeyZWCCCDMDXOJFJH-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.77
Rot. Bonds4

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

3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 103322519) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID103322519
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H14ClN3OS/c1-6(5-16)7(2)13-9-8-3-4-17-10(8)15-11(12)14-9/h3-4,6-7,16H,5H2,1-2H3,(H,13,14,15)
InChIKeyZWCCCDMDXOJFJH-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

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Related Compounds

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 103330143
2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322289
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
2-chloro-N-pent-1-yn-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 106232721
2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322551
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 103322396
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
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]-N-ethylacetamide
CID 103320684
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 103322519) is 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol is CC(CO)C(C)Nc1nc(Cl)nc2sccc12.
What is the InChIKey of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is ZWCCCDMDXOJFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-6(5-16)7(2)13-9-8-3-4-17-10(8)15-11(12)14-9/h3-4,6-7,16H,5H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol?
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-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 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 103322519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).