6-phenyl-1,2-dihydropyrimidine

C10H10N2 — CID 18994298

IUPAC6-phenyl-1,2-dihydropyrimidine
SMILESC1=NCNC(c2ccccc2)=C1
InChIInChI=1S/C10H10N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-7,12H,8H2
InChIKeyKDEZCJPVLCUQOA-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.66
Rot. Bonds1

About 6-phenyl-1,2-dihydropyrimidine

6-phenyl-1,2-dihydropyrimidine (PubChem CID 18994298) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 6-phenyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-phenyl-1,2-dihydropyrimidine
PubChem CID18994298
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name6-phenyl-1,2-dihydropyrimidine
SMILESC1=NCNC(c2ccccc2)=C1
InChIInChI=1S/C10H10N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-7,12H,8H2
InChIKeyKDEZCJPVLCUQOA-UHFFFAOYSA-N
XLogP1.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,2-dihydropyrimidine?
The IUPAC name of 6-phenyl-1,2-dihydropyrimidine (CID 18994298) is 6-phenyl-1,2-dihydropyrimidine.
What is the SMILES notation for 6-phenyl-1,2-dihydropyrimidine?
The canonical SMILES for 6-phenyl-1,2-dihydropyrimidine is C1=NCNC(c2ccccc2)=C1.
What is the InChIKey of 6-phenyl-1,2-dihydropyrimidine?
The InChIKey is KDEZCJPVLCUQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-7,12H,8H2.
What are the key properties of 6-phenyl-1,2-dihydropyrimidine?
6-phenyl-1,2-dihydropyrimidine has a molecular weight of 158.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,2-dihydropyrimidine is sourced from PubChem (CID 18994298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).