2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol

C11H14ClN3OS — CID 103322493

IUPAC2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol
SMILESCN(c1nc(Cl)nc2sccc12)C(C)(C)CO
InChIInChI=1S/C11H14ClN3OS/c1-11(2,6-16)15(3)8-7-4-5-17-9(7)14-10(12)13-8/h4-5,16H,6H2,1-3H3
InChIKeyNWQHYOMGJFWRDE-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.55
Rot. Bonds3

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

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol (PubChem CID 103322493) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol
PubChem CID103322493
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol
SMILESCN(c1nc(Cl)nc2sccc12)C(C)(C)CO
InChIInChI=1S/C11H14ClN3OS/c1-11(2,6-16)15(3)8-7-4-5-17-9(7)14-10(12)13-8/h4-5,16H,6H2,1-3H3
InChIKeyNWQHYOMGJFWRDE-UHFFFAOYSA-N
XLogP2.55
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 103322064
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321956
2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321385
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103320479
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 103321215
2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103320555
2-chloro-N-(furan-2-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320636
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320724
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 103321124
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320935
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 103321319

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol (CID 103322493) is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol is CN(c1nc(Cl)nc2sccc12)C(C)(C)CO.
What is the InChIKey of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol?
The InChIKey is NWQHYOMGJFWRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-11(2,6-16)15(3)8-7-4-5-17-9(7)14-10(12)13-8/h4-5,16H,6H2,1-3H3.
What are the key properties of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol?
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol has a molecular weight of 271.77 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 103322493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).