2-methyl-4-phenyl-1,4-dihydropyrimidine

C11H12N2 — CID 70493140

IUPAC2-methyl-4-phenyl-1,4-dihydropyrimidine
SMILESCC1=NC(c2ccccc2)C=CN1
InChIInChI=1S/C11H12N2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10/h2-8,11H,1H3,(H,12,13)
InChIKeyOTUOZDCETCCOJE-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.26
Rot. Bonds1

About 2-methyl-4-phenyl-1,4-dihydropyrimidine

2-methyl-4-phenyl-1,4-dihydropyrimidine (PubChem CID 70493140) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-methyl-4-phenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-methyl-4-phenyl-1,4-dihydropyrimidine
PubChem CID70493140
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-methyl-4-phenyl-1,4-dihydropyrimidine
SMILESCC1=NC(c2ccccc2)C=CN1
InChIInChI=1S/C11H12N2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10/h2-8,11H,1H3,(H,12,13)
InChIKeyOTUOZDCETCCOJE-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-benzyl-3-methylthiophen-2-yl)-2-methyl-1,4-dihydropyrimidine
CID 170897046
2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole
CID 23272349
(6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine
CID 134952379
ethane;(2S)-2-phenylaziridine
CID 145185749
4-methyl-2-phenyl-2H-imidazole
CID 173295239
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
1,1-dimethyl-3-phenylsiletane
CID 11332797
(4-phenylcyclohexa-2,5-dien-1-yl)benzene
CID 5248482
3-phenyl-3H-pyridazin-6-one
CID 86287397
3-methyl-4-phenyl-1,2,3,4-tetrahydropyridine
CID 163701489
6-bromo-2,4-diphenyl-1,4-dihydropyrimidine
CID 123546607
(4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 91220935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-1,4-dihydropyrimidine?
The IUPAC name of 2-methyl-4-phenyl-1,4-dihydropyrimidine (CID 70493140) is 2-methyl-4-phenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-methyl-4-phenyl-1,4-dihydropyrimidine?
The canonical SMILES for 2-methyl-4-phenyl-1,4-dihydropyrimidine is CC1=NC(c2ccccc2)C=CN1.
What is the InChIKey of 2-methyl-4-phenyl-1,4-dihydropyrimidine?
The InChIKey is OTUOZDCETCCOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10/h2-8,11H,1H3,(H,12,13).
What are the key properties of 2-methyl-4-phenyl-1,4-dihydropyrimidine?
2-methyl-4-phenyl-1,4-dihydropyrimidine has a molecular weight of 172.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 70493140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).