4-benzyl-2-methylidene-1-propan-2-ylpyrimidine

C15H18N2 — CID 58287926

IUPAC4-benzyl-2-methylidene-1-propan-2-ylpyrimidine
SMILESC=C1N=C(Cc2ccccc2)C=CN1C(C)C
InChIInChI=1S/C15H18N2/c1-12(2)17-10-9-15(16-13(17)3)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyFOXVXMMWTNHHNX-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.38
Rot. Bonds3

About 4-benzyl-2-methylidene-1-propan-2-ylpyrimidine

4-benzyl-2-methylidene-1-propan-2-ylpyrimidine (PubChem CID 58287926) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-benzyl-2-methylidene-1-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-benzyl-2-methylidene-1-propan-2-ylpyrimidine
PubChem CID58287926
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-benzyl-2-methylidene-1-propan-2-ylpyrimidine
SMILESC=C1N=C(Cc2ccccc2)C=CN1C(C)C
InChIInChI=1S/C15H18N2/c1-12(2)17-10-9-15(16-13(17)3)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyFOXVXMMWTNHHNX-UHFFFAOYSA-N
XLogP3.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine
CID 161115450
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CID 11194569
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CID 58949526
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
3-benzyl-1,5-dimethylpyrazole
CID 13225476
hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium
CID 67592764
benzylbenzene;ethane;methanamine
CID 54117827
benzylbenzene;methoxymethane
CID 161110966
1,4-bis(4-benzylphenyl)benzene
CID 58251041
5-benzyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
CID 167089453
5-benzyl-3-propan-2-ylpyrimidin-4-one
CID 58170128

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methylidene-1-propan-2-ylpyrimidine?
The IUPAC name of 4-benzyl-2-methylidene-1-propan-2-ylpyrimidine (CID 58287926) is 4-benzyl-2-methylidene-1-propan-2-ylpyrimidine.
What is the SMILES notation for 4-benzyl-2-methylidene-1-propan-2-ylpyrimidine?
The canonical SMILES for 4-benzyl-2-methylidene-1-propan-2-ylpyrimidine is C=C1N=C(Cc2ccccc2)C=CN1C(C)C.
What is the InChIKey of 4-benzyl-2-methylidene-1-propan-2-ylpyrimidine?
The InChIKey is FOXVXMMWTNHHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12(2)17-10-9-15(16-13(17)3)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 4-benzyl-2-methylidene-1-propan-2-ylpyrimidine?
4-benzyl-2-methylidene-1-propan-2-ylpyrimidine has a molecular weight of 226.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methylidene-1-propan-2-ylpyrimidine is sourced from PubChem (CID 58287926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).