2-phenyl-1,4-dihydropyrimidine

C10H10N2 — CID 13249952

IUPAC2-phenyl-1,4-dihydropyrimidine
SMILESC1=CNC(c2ccccc2)=NC1
InChIInChI=1S/C10H10N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-7H,8H2,(H,11,12)
InChIKeyVPTMEGADNQFHNO-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.55
Rot. Bonds1

About 2-phenyl-1,4-dihydropyrimidine

2-phenyl-1,4-dihydropyrimidine (PubChem CID 13249952) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-phenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-phenyl-1,4-dihydropyrimidine
PubChem CID13249952
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2-phenyl-1,4-dihydropyrimidine
SMILESC1=CNC(c2ccccc2)=NC1
InChIInChI=1S/C10H10N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-7H,8H2,(H,11,12)
InChIKeyVPTMEGADNQFHNO-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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-dihydropyrimidine?
The IUPAC name of 2-phenyl-1,4-dihydropyrimidine (CID 13249952) is 2-phenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-phenyl-1,4-dihydropyrimidine?
The canonical SMILES for 2-phenyl-1,4-dihydropyrimidine is C1=CNC(c2ccccc2)=NC1.
What is the InChIKey of 2-phenyl-1,4-dihydropyrimidine?
The InChIKey is VPTMEGADNQFHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-7H,8H2,(H,11,12).
What are the key properties of 2-phenyl-1,4-dihydropyrimidine?
2-phenyl-1,4-dihydropyrimidine has a molecular weight of 158.20 g/mol, XLogP of 1.55, 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-dihydropyrimidine is sourced from PubChem (CID 13249952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).