N-benzyl-1-propan-2-ylpyrimidin-2-imine

C14H17N3 — CID 171384474

IUPACN-benzyl-1-propan-2-ylpyrimidin-2-imine
SMILESCC(C)n1cccn/c1=N\Cc1ccccc1
InChIInChI=1S/C14H17N3/c1-12(2)17-10-6-9-15-14(17)16-11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3/b16-14+
InChIKeyHGYJPISHUNHMKW-JQIJEIRASA-N
MW227.31 g/mol
LogP2.56
Rot. Bonds3

About N-benzyl-1-propan-2-ylpyrimidin-2-imine

N-benzyl-1-propan-2-ylpyrimidin-2-imine (PubChem CID 171384474) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-benzyl-1-propan-2-ylpyrimidin-2-imine.

Molecular Properties

Compound NameN-benzyl-1-propan-2-ylpyrimidin-2-imine
PubChem CID171384474
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-benzyl-1-propan-2-ylpyrimidin-2-imine
SMILESCC(C)n1cccn/c1=N\Cc1ccccc1
InChIInChI=1S/C14H17N3/c1-12(2)17-10-6-9-15-14(17)16-11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3/b16-14+
InChIKeyHGYJPISHUNHMKW-JQIJEIRASA-N
XLogP2.56
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylpyrimidine-2-thione
CID 23057303
N,N-Dimethyl-N'-(alpha-methylbenzyl)-formamidine
CID 33727
Pyrimidine, 1-benzyl-1,2-dihydro-2-imino-
CID 86181017
Pyrimidine, 1-benzyl-1,2-dihydro-2-methylimino-
CID 134112913
N-(1-(Phenylmethyl)-2(1H)-pyrimidinylidene)benzenemethanamine
CID 165352564
Pyrimidine, 1-benzyl-1,2-dihydro-2-isopropylimino-
CID 171383865
Pyrimidine, 2-benzylimino-1,2-dihydro-1-methyl-
CID 171383962
1-Benzyl-2-(cyanoimino)pyridine
CID 15650344
N-benzylpyrimidine
CID 57136548
(r)-2-Phenyl-2,3-dihydroimidazo[1,2-a]-pyridine
CID 60052389
1-Benzyl-1-methylimidazol-1-ium
CID 87169512
1-[(3-fluorophenyl)methyl]-2H-pyrimidine
CID 57117478

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-propan-2-ylpyrimidin-2-imine?
The IUPAC name of N-benzyl-1-propan-2-ylpyrimidin-2-imine (CID 171384474) is N-benzyl-1-propan-2-ylpyrimidin-2-imine.
What is the SMILES notation for N-benzyl-1-propan-2-ylpyrimidin-2-imine?
The canonical SMILES for N-benzyl-1-propan-2-ylpyrimidin-2-imine is CC(C)n1cccn/c1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-1-propan-2-ylpyrimidin-2-imine?
The InChIKey is HGYJPISHUNHMKW-JQIJEIRASA-N. The full InChI is InChI=1S/C14H17N3/c1-12(2)17-10-6-9-15-14(17)16-11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3/b16-14+.
What are the key properties of N-benzyl-1-propan-2-ylpyrimidin-2-imine?
N-benzyl-1-propan-2-ylpyrimidin-2-imine has a molecular weight of 227.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-propan-2-ylpyrimidin-2-imine is sourced from PubChem (CID 171384474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).