4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine

C22H20N4 — CID 157498622

IUPAC4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine
SMILESCc1ccn(-c2nccc(Cc3cccc(Cc4ccccc4)c3)n2)n1
InChIInChI=1S/C22H20N4/c1-17-11-13-26(25-17)22-23-12-10-21(24-22)16-20-9-5-8-19(15-20)14-18-6-3-2-4-7-18/h2-13,15H,14,16H2,1H3
InChIKeyOMEIUVMGAANYBA-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.15
Rot. Bonds5

About 4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine

4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine (PubChem CID 157498622) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine
PubChem CID157498622
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine
SMILESCc1ccn(-c2nccc(Cc3cccc(Cc4ccccc4)c3)n2)n1
InChIInChI=1S/C22H20N4/c1-17-11-13-26(25-17)22-23-12-10-21(24-22)16-20-9-5-8-19(15-20)14-18-6-3-2-4-7-18/h2-13,15H,14,16H2,1H3
InChIKeyOMEIUVMGAANYBA-UHFFFAOYSA-N
XLogP4.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibenzylpyrimidine
CID 59375877
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
2-benzyl-4-[[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]methyl]pyrimidine
CID 157087984
4-benzyl-6-methylpyrimidin-2-amine
CID 45071696
N-methyl-1-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 62492275
4-methyl-2-(3-methylpyrazol-1-yl)quinoline
CID 10561051
3-benzyl-1,5-dimethylpyrazole
CID 13225476
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
[4-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 19627295
1-tert-butyl-3,5-dimethylpyrazole;phenylmethanamine
CID 139557415
2-methyl-4-(pyridin-2-ylmethyl)pyridine
CID 15271106
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702

Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine (CID 157498622) is 4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine is Cc1ccn(-c2nccc(Cc3cccc(Cc4ccccc4)c3)n2)n1.
What is the InChIKey of 4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine?
The InChIKey is OMEIUVMGAANYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-17-11-13-26(25-17)22-23-12-10-21(24-22)16-20-9-5-8-19(15-20)14-18-6-3-2-4-7-18/h2-13,15H,14,16H2,1H3.
What are the key properties of 4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine?
4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine has a molecular weight of 340.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzylphenyl)methyl]-2-(3-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 157498622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).