[5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol

C9H9N3OS — CID 177246289

IUPAC[5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol
SMILESOCc1csc(Nc2ncccn2)c1
InChIInChI=1S/C9H9N3OS/c13-5-7-4-8(14-6-7)12-9-10-2-1-3-11-9/h1-4,6,13H,5H2,(H,10,11,12)
InChIKeyMMCLGQFMVNLWSH-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.77
Rot. Bonds3

About [5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol

[5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol (PubChem CID 177246289) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is [5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol
PubChem CID177246289
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name[5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol
SMILESOCc1csc(Nc2ncccn2)c1
InChIInChI=1S/C9H9N3OS/c13-5-7-4-8(14-6-7)12-9-10-2-1-3-11-9/h1-4,6,13H,5H2,(H,10,11,12)
InChIKeyMMCLGQFMVNLWSH-UHFFFAOYSA-N
XLogP1.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol?
The IUPAC name of [5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol (CID 177246289) is [5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol.
What is the SMILES notation for [5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol?
The canonical SMILES for [5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol is OCc1csc(Nc2ncccn2)c1.
What is the InChIKey of [5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol?
The InChIKey is MMCLGQFMVNLWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c13-5-7-4-8(14-6-7)12-9-10-2-1-3-11-9/h1-4,6,13H,5H2,(H,10,11,12).
What are the key properties of [5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol?
[5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol has a molecular weight of 207.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyrimidin-2-ylamino)thiophen-3-yl]methanol is sourced from PubChem (CID 177246289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).