2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol

C13H13N5O2 — CID 118741257

IUPAC2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nccc(-c2cn[nH]c2-c2ccco2)n1
InChIInChI=1S/C13H13N5O2/c19-6-5-15-13-14-4-3-10(17-13)9-8-16-18-12(9)11-2-1-7-20-11/h1-4,7-8,19H,5-6H2,(H,16,18)(H,14,15,17)
InChIKeyZLUAWXMBVHLHIF-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.53
Rot. Bonds5

About 2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 118741257) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID118741257
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nccc(-c2cn[nH]c2-c2ccco2)n1
InChIInChI=1S/C13H13N5O2/c19-6-5-15-13-14-4-3-10(17-13)9-8-16-18-12(9)11-2-1-7-20-11/h1-4,7-8,19H,5-6H2,(H,16,18)(H,14,15,17)
InChIKeyZLUAWXMBVHLHIF-UHFFFAOYSA-N
XLogP1.53
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol (CID 118741257) is 2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol is OCCNc1nccc(-c2cn[nH]c2-c2ccco2)n1.
What is the InChIKey of 2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is ZLUAWXMBVHLHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c19-6-5-15-13-14-4-3-10(17-13)9-8-16-18-12(9)11-2-1-7-20-11/h1-4,7-8,19H,5-6H2,(H,16,18)(H,14,15,17).
What are the key properties of 2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 271.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(furan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 118741257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).