1-benzylpyrimidin-2-imine

C11H11N3 — CID 86181017

IUPAC1-benzylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1Cc1ccccc1
InChIInChI=1S/C11H11N3/c12-11-13-7-4-8-14(11)9-10-5-2-1-3-6-10/h1-8,12H,9H2/b12-11+
InChIKeyHSRVNTXNHCVCEG-VAWYXSNFSA-N
MW185.23 g/mol
LogP1.41
Rot. Bonds2

About 1-benzylpyrimidin-2-imine

1-benzylpyrimidin-2-imine (PubChem CID 86181017) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-benzylpyrimidin-2-imine.

Molecular Properties

Compound Name1-benzylpyrimidin-2-imine
PubChem CID86181017
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1-benzylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1Cc1ccccc1
InChIInChI=1S/C11H11N3/c12-11-13-7-4-8-14(11)9-10-5-2-1-3-6-10/h1-8,12H,9H2/b12-11+
InChIKeyHSRVNTXNHCVCEG-VAWYXSNFSA-N
XLogP1.41
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylpyridin-2(1H)-imine--hydrogen chloride (1/1)
CID 16195936
6-(benzylamino)-1H-pyrimidin-2-one
CID 308512
1-[(4-Methylphenyl)methyl]-1,2-dihydropyridin-2-imine hydrochloride
CID 16248876
1-(3,5-Difluoro-benzyl)-1H-pyrimidine-2-thione
CID 23057296
Guanidine, 1,1-dibenzyl-, hydrochloride
CID 9486
4-Amino-1-benzylpyrimidin-2(1H)-one
CID 308581
1-[(3-Fluorophenyl)methyl]pyrimidine-2-thione
CID 23057300
1-Benzylpyrimidine-2-thione
CID 23057303
Guanidine, 1-benzyl-1-methyl-, monohydrochloride
CID 9505
1-[(3-Fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide
CID 71674687
N-Benzyl-N-Methylguanidine
CID 9506
[1-[(2-Fluorophenyl)methyl]-2-pyridinylidene]cyanamide
CID 19815499

Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrimidin-2-imine?
The IUPAC name of 1-benzylpyrimidin-2-imine (CID 86181017) is 1-benzylpyrimidin-2-imine.
What is the SMILES notation for 1-benzylpyrimidin-2-imine?
The canonical SMILES for 1-benzylpyrimidin-2-imine is [H]/N=c1\ncccn1Cc1ccccc1.
What is the InChIKey of 1-benzylpyrimidin-2-imine?
The InChIKey is HSRVNTXNHCVCEG-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H11N3/c12-11-13-7-4-8-14(11)9-10-5-2-1-3-6-10/h1-8,12H,9H2/b12-11+.
What are the key properties of 1-benzylpyrimidin-2-imine?
1-benzylpyrimidin-2-imine has a molecular weight of 185.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrimidin-2-imine is sourced from PubChem (CID 86181017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).