4-phenyl-1,4-dihydropyrimidine

C10H10N2 — CID 19807438

IUPAC4-phenyl-1,4-dihydropyrimidine
SMILESC1=CC(c2ccccc2)N=CN1
InChIInChI=1S/C10H10N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8,10H,(H,11,12)
InChIKeyACPYTJZQGNOKRY-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.87
Rot. Bonds1

About 4-phenyl-1,4-dihydropyrimidine

4-phenyl-1,4-dihydropyrimidine (PubChem CID 19807438) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-phenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-phenyl-1,4-dihydropyrimidine
PubChem CID19807438
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name4-phenyl-1,4-dihydropyrimidine
SMILESC1=CC(c2ccccc2)N=CN1
InChIInChI=1S/C10H10N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8,10H,(H,11,12)
InChIKeyACPYTJZQGNOKRY-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,4-dihydropyrimidine?
The IUPAC name of 4-phenyl-1,4-dihydropyrimidine (CID 19807438) is 4-phenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 4-phenyl-1,4-dihydropyrimidine?
The canonical SMILES for 4-phenyl-1,4-dihydropyrimidine is C1=CC(c2ccccc2)N=CN1.
What is the InChIKey of 4-phenyl-1,4-dihydropyrimidine?
The InChIKey is ACPYTJZQGNOKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8,10H,(H,11,12).
What are the key properties of 4-phenyl-1,4-dihydropyrimidine?
4-phenyl-1,4-dihydropyrimidine has a molecular weight of 158.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 19807438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).