4-phenyl-1,2,3,4-tetrahydropyrimidine

C10H12N2 — CID 67582497

IUPAC4-phenyl-1,2,3,4-tetrahydropyrimidine
SMILESC1=CC(c2ccccc2)NCN1
InChIInChI=1S/C10H12N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-7,10-12H,8H2
InChIKeyFCOREWIDEXWKKO-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.39
Rot. Bonds1

About 4-phenyl-1,2,3,4-tetrahydropyrimidine

4-phenyl-1,2,3,4-tetrahydropyrimidine (PubChem CID 67582497) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-phenyl-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name4-phenyl-1,2,3,4-tetrahydropyrimidine
PubChem CID67582497
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4-phenyl-1,2,3,4-tetrahydropyrimidine
SMILESC1=CC(c2ccccc2)NCN1
InChIInChI=1S/C10H12N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-7,10-12H,8H2
InChIKeyFCOREWIDEXWKKO-UHFFFAOYSA-N
XLogP1.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 4-phenyl-1,2,3,4-tetrahydropyrimidine (CID 67582497) is 4-phenyl-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 4-phenyl-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 4-phenyl-1,2,3,4-tetrahydropyrimidine is C1=CC(c2ccccc2)NCN1.
What is the InChIKey of 4-phenyl-1,2,3,4-tetrahydropyrimidine?
The InChIKey is FCOREWIDEXWKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-7,10-12H,8H2.
What are the key properties of 4-phenyl-1,2,3,4-tetrahydropyrimidine?
4-phenyl-1,2,3,4-tetrahydropyrimidine has a molecular weight of 160.22 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 67582497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).