4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine

C12H14N2 — CID 12644471

IUPAC4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine
SMILESCC1=CC(C)=NC(c2ccccc2)N1
InChIInChI=1S/C12H14N2/c1-9-8-10(2)14-12(13-9)11-6-4-3-5-7-11/h3-8,12-13H,1-2H3
InChIKeyICXKQIPBQFMNBU-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.65
Rot. Bonds1

About 4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine

4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine (PubChem CID 12644471) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine
PubChem CID12644471
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine
SMILESCC1=CC(C)=NC(c2ccccc2)N1
InChIInChI=1S/C12H14N2/c1-9-8-10(2)14-12(13-9)11-6-4-3-5-7-11/h3-8,12-13H,1-2H3
InChIKeyICXKQIPBQFMNBU-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine?
The IUPAC name of 4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine (CID 12644471) is 4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine?
The canonical SMILES for 4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine is CC1=CC(C)=NC(c2ccccc2)N1.
What is the InChIKey of 4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine?
The InChIKey is ICXKQIPBQFMNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-8-10(2)14-12(13-9)11-6-4-3-5-7-11/h3-8,12-13H,1-2H3.
What are the key properties of 4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine?
4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine has a molecular weight of 186.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-phenyl-1,2-dihydropyrimidine is sourced from PubChem (CID 12644471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).