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

C10H12N2O — CID 135531460

IUPAC4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
SMILESOc1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C10H12N2O/c13-9-4-2-8(3-5-9)10-11-6-1-7-12-10/h2-5,13H,1,6-7H2,(H,11,12)
InChIKeyOEGCCJDCPVXFLC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.13
Rot. Bonds1

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

4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol (PubChem CID 135531460) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol.

Molecular Properties

Compound Name4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
PubChem CID135531460
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
SMILESOc1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C10H12N2O/c13-9-4-2-8(3-5-9)10-11-6-1-7-12-10/h2-5,13H,1,6-7H2,(H,11,12)
InChIKeyOEGCCJDCPVXFLC-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 4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
The IUPAC name of 4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol (CID 135531460) is 4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol.
What is the SMILES notation for 4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
The canonical SMILES for 4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol is Oc1ccc(C2=NCCCN2)cc1.
What is the InChIKey of 4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
The InChIKey is OEGCCJDCPVXFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-9-4-2-8(3-5-9)10-11-6-1-7-12-10/h2-5,13H,1,6-7H2,(H,11,12).
What are the key properties of 4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol?
4-(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 4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol is sourced from PubChem (CID 135531460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).