N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine

C8H9N3 — CID 145188012

IUPACN-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine
SMILESC=Cc1ncnc(C)c1N=C
InChIInChI=1S/C8H9N3/c1-4-7-8(9-3)6(2)10-5-11-7/h4-5H,1,3H2,2H3
InChIKeyXSZNOKFWHXSQRR-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.76
Rot. Bonds2

About N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine

N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine (PubChem CID 145188012) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine.

Molecular Properties

Compound NameN-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine
PubChem CID145188012
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC NameN-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine
SMILESC=Cc1ncnc(C)c1N=C
InChIInChI=1S/C8H9N3/c1-4-7-8(9-3)6(2)10-5-11-7/h4-5H,1,3H2,2H3
InChIKeyXSZNOKFWHXSQRR-UHFFFAOYSA-N
XLogP1.76
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine 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-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine
CID 139474062
N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine
CID 144514793
5-bromo-4-chloro-6-ethenylpyrimidine
CID 118153013
4,5-bis(ethenyl)-6-propan-2-ylpyrimidine
CID 143453413
5-fluoro-4-methyl-6-propa-1,2-dienylpyrimidine
CID 166976487
N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine
CID 142363960
6-ethenyl-4-N-methylpyrimidine-4,5-diamine
CID 122643538
6-methyl-5-(2-methylprop-2-enylideneamino)pyrimidin-4-amine
CID 126593456
4-ethenyl-6-methylsulfanylpyrimido[5,4-d]pyrimidine
CID 129147092
N-[5,8-dimethyl-7-(methylideneamino)quinoxalin-6-yl]methanimine
CID 143964135
5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine
CID 142879348
N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine
CID 145183019

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine?
The IUPAC name of N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine (CID 145188012) is N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine.
What is the SMILES notation for N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine?
The canonical SMILES for N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine is C=Cc1ncnc(C)c1N=C.
What is the InChIKey of N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine?
The InChIKey is XSZNOKFWHXSQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-4-7-8(9-3)6(2)10-5-11-7/h4-5H,1,3H2,2H3.
What are the key properties of N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine?
N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine has a molecular weight of 147.18 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine is sourced from PubChem (CID 145188012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).