2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol

C12H16ClN3O2S — CID 58080367

IUPAC2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol
SMILESCC(C)(O)C1(Nc2nc(Cl)nc3c2S(=O)CC3)CC1
InChIInChI=1S/C12H16ClN3O2S/c1-11(2,17)12(4-5-12)16-9-8-7(3-6-19(8)18)14-10(13)15-9/h17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyWRRKNDXJMKWOQZ-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.51
Rot. Bonds3

About 2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol

2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol (PubChem CID 58080367) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol
PubChem CID58080367
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC Name2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol
SMILESCC(C)(O)C1(Nc2nc(Cl)nc3c2S(=O)CC3)CC1
InChIInChI=1S/C12H16ClN3O2S/c1-11(2,17)12(4-5-12)16-9-8-7(3-6-19(8)18)14-10(13)15-9/h17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyWRRKNDXJMKWOQZ-UHFFFAOYSA-N
XLogP1.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol?
The IUPAC name of 2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol (CID 58080367) is 2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol.
What is the SMILES notation for 2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol?
The canonical SMILES for 2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol is CC(C)(O)C1(Nc2nc(Cl)nc3c2S(=O)CC3)CC1.
What is the InChIKey of 2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol?
The InChIKey is WRRKNDXJMKWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S/c1-11(2,17)12(4-5-12)16-9-8-7(3-6-19(8)18)14-10(13)15-9/h17H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol?
2-[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol has a molecular weight of 301.80 g/mol, XLogP of 1.51, 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-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]propan-2-ol is sourced from PubChem (CID 58080367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).