1-(6-chloropyrimidin-4-yl)-N-methylmethanimine

C6H6ClN3 — CID 123901794

IUPAC1-(6-chloropyrimidin-4-yl)-N-methylmethanimine
SMILESC/N=C/c1cc(Cl)ncn1
InChIInChI=1S/C6H6ClN3/c1-8-3-5-2-6(7)10-4-9-5/h2-4H,1H3/b8-3+
InChIKeyJDIZRYDLYOXITO-FPYGCLRLSA-N
MW155.59 g/mol
LogP1.18
Rot. Bonds1

About 1-(6-chloropyrimidin-4-yl)-N-methylmethanimine

1-(6-chloropyrimidin-4-yl)-N-methylmethanimine (PubChem CID 123901794) has the molecular formula C6H6ClN3 and a molecular weight of 155.59 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)-N-methylmethanimine
PubChem CID123901794
Molecular FormulaC6H6ClN3
Molecular Weight155.59 g/mol
Exact Mass155.03
IUPAC Name1-(6-chloropyrimidin-4-yl)-N-methylmethanimine
SMILESC/N=C/c1cc(Cl)ncn1
InChIInChI=1S/C6H6ClN3/c1-8-3-5-2-6(7)10-4-9-5/h2-4H,1H3/b8-3+
InChIKeyJDIZRYDLYOXITO-FPYGCLRLSA-N
XLogP1.18
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.59
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)-N-methylmethanimine?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)-N-methylmethanimine (CID 123901794) is 1-(6-chloropyrimidin-4-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)-N-methylmethanimine?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)-N-methylmethanimine is C/N=C/c1cc(Cl)ncn1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)-N-methylmethanimine?
The InChIKey is JDIZRYDLYOXITO-FPYGCLRLSA-N. The full InChI is InChI=1S/C6H6ClN3/c1-8-3-5-2-6(7)10-4-9-5/h2-4H,1H3/b8-3+.
What are the key properties of 1-(6-chloropyrimidin-4-yl)-N-methylmethanimine?
1-(6-chloropyrimidin-4-yl)-N-methylmethanimine has a molecular weight of 155.59 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)-N-methylmethanimine is sourced from PubChem (CID 123901794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).