N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine

C21H20BrN3S — CID 153418678

IUPACN-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine
SMILESCCC(N=C(c1ccccc1)c1ccccc1)c1nc(SC)ncc1Br
InChIInChI=1S/C21H20BrN3S/c1-3-18(20-17(22)14-23-21(25-20)26-2)24-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,18H,3H2,1-2H3
InChIKeyPEHDRVHCZNYXAS-UHFFFAOYSA-N
MW426.38 g/mol
LogP5.95
Rot. Bonds6

About N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine

N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine (PubChem CID 153418678) has the molecular formula C21H20BrN3S and a molecular weight of 426.38 g/mol. Its IUPAC name is N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine
PubChem CID153418678
Molecular FormulaC21H20BrN3S
Molecular Weight426.38 g/mol
Exact Mass425.06
IUPAC NameN-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine
SMILESCCC(N=C(c1ccccc1)c1ccccc1)c1nc(SC)ncc1Br
InChIInChI=1S/C21H20BrN3S/c1-3-18(20-17(22)14-23-21(25-20)26-2)24-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,18H,3H2,1-2H3
InChIKeyPEHDRVHCZNYXAS-UHFFFAOYSA-N
XLogP5.95
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.38
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)ethanamine
CID 130153690
(R)-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-methoxymethanol
CID 134558853
5-bromo-4-fluoro-2-methylsulfanylpyrimidine
CID 167727810
5-bromo-N-methyl-2-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 142925662
5-bromo-2-methylsulfanyl-N-phenylpyrimidine-4-carboxamide
CID 17014128
butan-2-yl 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate
CID 123187615
2-(benzhydrylideneamino)butanenitrile
CID 24977176
(5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane
CID 71229136
2-(benzhydrylideneamino)butanoate
CID 23167400
5-bromo-N-(3,3-diethoxypropyl)-2-methylsulfanylpyrimidin-4-amine
CID 130302524
2-(benzhydrylideneamino)-3-(5-bromo-3-fluoro-2-pyridinyl)propanenitrile
CID 170711276
5-(benzhydrylideneamino)hexan-2-one
CID 21343384

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine (CID 153418678) is N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine is CCC(N=C(c1ccccc1)c1ccccc1)c1nc(SC)ncc1Br.
What is the InChIKey of N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine?
The InChIKey is PEHDRVHCZNYXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3S/c1-3-18(20-17(22)14-23-21(25-20)26-2)24-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,18H,3H2,1-2H3.
What are the key properties of N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine?
N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine has a molecular weight of 426.38 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)propyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 153418678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).