[3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol

C10H8ClN5OS — CID 146645024

IUPAC[3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(Nc2nc(Cl)nc3sccc23)n[nH]1
InChIInChI=1S/C10H8ClN5OS/c11-10-13-8(6-1-2-18-9(6)14-10)12-7-3-5(4-17)15-16-7/h1-3,17H,4H2,(H2,12,13,14,15,16)
InChIKeyIAXJOQMIXGEUDM-UHFFFAOYSA-N
MW281.73 g/mol
LogP2.30
Rot. Bonds3

About [3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol

[3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol (PubChem CID 146645024) has the molecular formula C10H8ClN5OS and a molecular weight of 281.73 g/mol. Its IUPAC name is [3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol
PubChem CID146645024
Molecular FormulaC10H8ClN5OS
Molecular Weight281.73 g/mol
Exact Mass281.01
IUPAC Name[3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(Nc2nc(Cl)nc3sccc23)n[nH]1
InChIInChI=1S/C10H8ClN5OS/c11-10-13-8(6-1-2-18-9(6)14-10)12-7-3-5(4-17)15-16-7/h1-3,17H,4H2,(H2,12,13,14,15,16)
InChIKeyIAXJOQMIXGEUDM-UHFFFAOYSA-N
XLogP2.30
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol (CID 146645024) is [3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol is OCc1cc(Nc2nc(Cl)nc3sccc23)n[nH]1.
What is the InChIKey of [3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol?
The InChIKey is IAXJOQMIXGEUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5OS/c11-10-13-8(6-1-2-18-9(6)14-10)12-7-3-5(4-17)15-16-7/h1-3,17H,4H2,(H2,12,13,14,15,16).
What are the key properties of [3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol?
[3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol has a molecular weight of 281.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 146645024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).