[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol

C11H14ClN3OS — CID 71529246

IUPAC[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESOCC1(Nc2nc(Cl)nc3c2SCC3)CCC1
InChIInChI=1S/C11H14ClN3OS/c12-10-13-7-2-5-17-8(7)9(14-10)15-11(6-16)3-1-4-11/h16H,1-6H2,(H,13,14,15)
InChIKeyNTENTDTULMTIKA-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.11
Rot. Bonds3

About [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol

[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol (PubChem CID 71529246) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
PubChem CID71529246
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESOCC1(Nc2nc(Cl)nc3c2SCC3)CCC1
InChIInChI=1S/C11H14ClN3OS/c12-10-13-7-2-5-17-8(7)9(14-10)15-11(6-16)3-1-4-11/h16H,1-6H2,(H,13,14,15)
InChIKeyNTENTDTULMTIKA-UHFFFAOYSA-N
XLogP2.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The IUPAC name of [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol (CID 71529246) is [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The canonical SMILES for [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol is OCC1(Nc2nc(Cl)nc3c2SCC3)CCC1.
What is the InChIKey of [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The InChIKey is NTENTDTULMTIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c12-10-13-7-2-5-17-8(7)9(14-10)15-11(6-16)3-1-4-11/h16H,1-6H2,(H,13,14,15).
What are the key properties of [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol has a molecular weight of 271.77 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol is sourced from PubChem (CID 71529246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).