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

C11H14ClN3OS — CID 103322064

IUPAC1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(Cl)nc2sccc12
InChIInChI=1S/C11H14ClN3OS/c1-11(2,16)6-15(3)8-7-4-5-17-9(7)14-10(12)13-8/h4-5,16H,6H2,1-3H3
InChIKeyWEOWVAYRKNJLMK-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.55
Rot. Bonds3

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

1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 103322064) 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)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID103322064
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(Cl)nc2sccc12
InChIInChI=1S/C11H14ClN3OS/c1-11(2,16)6-15(3)8-7-4-5-17-9(7)14-10(12)13-8/h4-5,16H,6H2,1-3H3
InChIKeyWEOWVAYRKNJLMK-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (CID 103322064) is 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1nc(Cl)nc2sccc12.
What is the InChIKey of 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is WEOWVAYRKNJLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-11(2,16)6-15(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 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-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 1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 103322064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).