2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine

C12H14N2 — CID 88848282

IUPAC2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine
SMILESC(=C/c1ccccc1)\C1=NCCCN1
InChIInChI=1S/C12H14N2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8H,4,9-10H2,(H,13,14)/b8-7+
InChIKeyUQALLLCCJQCDCV-BQYQJAHWSA-N
MW186.26 g/mol
LogP2.09
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine

2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 88848282) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID88848282
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine
SMILESC(=C/c1ccccc1)\C1=NCCCN1
InChIInChI=1S/C12H14N2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8H,4,9-10H2,(H,13,14)/b8-7+
InChIKeyUQALLLCCJQCDCV-BQYQJAHWSA-N
XLogP2.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine (CID 88848282) is 2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine is C(=C/c1ccccc1)\C1=NCCCN1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is UQALLLCCJQCDCV-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8H,4,9-10H2,(H,13,14)/b8-7+.
What are the key properties of 2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine?
2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 186.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 88848282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).