3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol

C10H12N2O — CID 26966840

IUPAC3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
SMILESOc1cccc(C2=NCCCN2)c1
InChIInChI=1S/C10H12N2O/c13-9-4-1-3-8(7-9)10-11-5-2-6-12-10/h1,3-4,7,13H,2,5-6H2,(H,11,12)
InChIKeyXVTZMKHBKGYOKU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.13
Rot. Bonds1

About 3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol

3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol (PubChem CID 26966840) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
PubChem CID26966840
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
SMILESOc1cccc(C2=NCCCN2)c1
InChIInChI=1S/C10H12N2O/c13-9-4-1-3-8(7-9)10-11-5-2-6-12-10/h1,3-4,7,13H,2,5-6H2,(H,11,12)
InChIKeyXVTZMKHBKGYOKU-UHFFFAOYSA-N
XLogP1.13
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
The IUPAC name of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol (CID 26966840) is 3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
The canonical SMILES for 3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol is Oc1cccc(C2=NCCCN2)c1.
What is the InChIKey of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
The InChIKey is XVTZMKHBKGYOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-9-4-1-3-8(7-9)10-11-5-2-6-12-10/h1,3-4,7,13H,2,5-6H2,(H,11,12).
What are the key properties of 3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol has a molecular weight of 176.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol is sourced from PubChem (CID 26966840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).