2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride

C10H13ClN2 — CID 3015202

IUPAC2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride
SMILESCl.c1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C10H12N2.ClH/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;/h1-3,5-6H,4,7-8H2,(H,11,12);1H
InChIKeyLEBNULBRWKPSFC-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.85
Rot. Bonds1

About 2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride

2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride (PubChem CID 3015202) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride.

Molecular Properties

Compound Name2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride
PubChem CID3015202
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride
SMILESCl.c1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C10H12N2.ClH/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;/h1-3,5-6H,4,7-8H2,(H,11,12);1H
InChIKeyLEBNULBRWKPSFC-UHFFFAOYSA-N
XLogP1.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride?
The IUPAC name of 2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride (CID 3015202) is 2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride.
What is the SMILES notation for 2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride?
The canonical SMILES for 2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride is Cl.c1ccc(C2=NCCCN2)cc1.
What is the InChIKey of 2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride?
The InChIKey is LEBNULBRWKPSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.ClH/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;/h1-3,5-6H,4,7-8H2,(H,11,12);1H.
What are the key properties of 2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride?
2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride has a molecular weight of 196.68 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride is sourced from PubChem (CID 3015202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).