2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol

C11H14ClN3OS — CID 82066307

IUPAC2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C11H14ClN3OS/c1-3-7(5-16)13-9-8-4-6(2)17-10(8)15-11(12)14-9/h4,7,16H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyHRQOUPICXSVPFE-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.84
Rot. Bonds4

About 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol

2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol (PubChem CID 82066307) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
PubChem CID82066307
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C11H14ClN3OS/c1-3-7(5-16)13-9-8-4-6(2)17-10(8)15-11(12)14-9/h4,7,16H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyHRQOUPICXSVPFE-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106196459
2-chloro-6-methyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103321761
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide
CID 103321007
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
2-chloro-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321900
2-chloro-6-methyl-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322498
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
[1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol
CID 103321492
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320629
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321032

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol (CID 82066307) is 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol is CCC(CO)Nc1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is HRQOUPICXSVPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-3-7(5-16)13-9-8-4-6(2)17-10(8)15-11(12)14-9/h4,7,16H,3,5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 271.77 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 82066307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).