4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol

C10H12N2O — CID 13432426

IUPAC4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol
SMILESOC1CC(c2ccccc2)N=CN1
InChIInChI=1S/C10H12N2O/c13-10-6-9(11-7-12-10)8-4-2-1-3-5-8/h1-5,7,9-10,13H,6H2,(H,11,12)
InChIKeyLCJWASQGBPJOLY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.07
Rot. Bonds1

About 4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol

4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol (PubChem CID 13432426) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol.

Molecular Properties

Compound Name4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol
PubChem CID13432426
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol
SMILESOC1CC(c2ccccc2)N=CN1
InChIInChI=1S/C10H12N2O/c13-10-6-9(11-7-12-10)8-4-2-1-3-5-8/h1-5,7,9-10,13H,6H2,(H,11,12)
InChIKeyLCJWASQGBPJOLY-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol?
The IUPAC name of 4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol (CID 13432426) is 4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol.
What is the SMILES notation for 4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol?
The canonical SMILES for 4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol is OC1CC(c2ccccc2)N=CN1.
What is the InChIKey of 4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol?
The InChIKey is LCJWASQGBPJOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-10-6-9(11-7-12-10)8-4-2-1-3-5-8/h1-5,7,9-10,13H,6H2,(H,11,12).
What are the key properties of 4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol?
4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol has a molecular weight of 176.22 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol is sourced from PubChem (CID 13432426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).