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

C11H12ClN3OS — CID 88586278

IUPAC1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol
SMILESC=C(O)C1(Nc2nc(Cl)nc3c2SCC3)CC1
InChIInChI=1S/C11H12ClN3OS/c1-6(16)11(3-4-11)15-9-8-7(2-5-17-8)13-10(12)14-9/h16H,1-5H2,(H,13,14,15)
InChIKeyMJOGYOQJTFZQBI-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.79
Rot. Bonds3

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

1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol (PubChem CID 88586278) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol.

Molecular Properties

Compound Name1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol
PubChem CID88586278
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol
SMILESC=C(O)C1(Nc2nc(Cl)nc3c2SCC3)CC1
InChIInChI=1S/C11H12ClN3OS/c1-6(16)11(3-4-11)15-9-8-7(2-5-17-8)13-10(12)14-9/h16H,1-5H2,(H,13,14,15)
InChIKeyMJOGYOQJTFZQBI-UHFFFAOYSA-N
XLogP2.79
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol?
The IUPAC name of 1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol (CID 88586278) is 1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol.
What is the SMILES notation for 1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol?
The canonical SMILES for 1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol is C=C(O)C1(Nc2nc(Cl)nc3c2SCC3)CC1.
What is the InChIKey of 1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol?
The InChIKey is MJOGYOQJTFZQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-6(16)11(3-4-11)15-9-8-7(2-5-17-8)13-10(12)14-9/h16H,1-5H2,(H,13,14,15).
What are the key properties of 1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol?
1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol has a molecular weight of 269.76 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]ethenol is sourced from PubChem (CID 88586278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).