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

C12H16ClN3OS — CID 58080356

IUPAC2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol
SMILESCC(C)(O)C1(Nc2nc(Cl)nc3c2SCC3)CC1
InChIInChI=1S/C12H16ClN3OS/c1-11(2,17)12(4-5-12)16-9-8-7(3-6-18-8)14-10(13)15-9/h17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKCYYUALFELWFOD-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.49
Rot. Bonds3

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

2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol (PubChem CID 58080356) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol
PubChem CID58080356
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol
SMILESCC(C)(O)C1(Nc2nc(Cl)nc3c2SCC3)CC1
InChIInChI=1S/C12H16ClN3OS/c1-11(2,17)12(4-5-12)16-9-8-7(3-6-18-8)14-10(13)15-9/h17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKCYYUALFELWFOD-UHFFFAOYSA-N
XLogP2.49
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol?
The IUPAC name of 2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol (CID 58080356) is 2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol.
What is the SMILES notation for 2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol?
The canonical SMILES for 2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol is CC(C)(O)C1(Nc2nc(Cl)nc3c2SCC3)CC1.
What is the InChIKey of 2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol?
The InChIKey is KCYYUALFELWFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-11(2,17)12(4-5-12)16-9-8-7(3-6-18-8)14-10(13)15-9/h17H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol?
2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol has a molecular weight of 285.80 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol is sourced from PubChem (CID 58080356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).