6-chloro-3-methylpyrimidin-4-imine

C5H6ClN3 — CID 165357390

IUPAC6-chloro-3-methylpyrimidin-4-imine
SMILES[H]/N=c1\cc(Cl)ncn1C
InChIInChI=1S/C5H6ClN3/c1-9-3-8-4(6)2-5(9)7/h2-3,7H,1H3/b7-5+
InChIKeyWODBGDBFOGEBHW-FNORWQNLSA-N
MW143.58 g/mol
LogP0.55
Rot. Bonds

About 6-chloro-3-methylpyrimidin-4-imine

6-chloro-3-methylpyrimidin-4-imine (PubChem CID 165357390) has the molecular formula C5H6ClN3 and a molecular weight of 143.58 g/mol. Its IUPAC name is 6-chloro-3-methylpyrimidin-4-imine.

Molecular Properties

Compound Name6-chloro-3-methylpyrimidin-4-imine
PubChem CID165357390
Molecular FormulaC5H6ClN3
Molecular Weight143.58 g/mol
Exact Mass143.03
IUPAC Name6-chloro-3-methylpyrimidin-4-imine
SMILES[H]/N=c1\cc(Cl)ncn1C
InChIInChI=1S/C5H6ClN3/c1-9-3-8-4(6)2-5(9)7/h2-3,7H,1H3/b7-5+
InChIKeyWODBGDBFOGEBHW-FNORWQNLSA-N
XLogP0.55
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.58
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylpyrimidin-4-imine?
The IUPAC name of 6-chloro-3-methylpyrimidin-4-imine (CID 165357390) is 6-chloro-3-methylpyrimidin-4-imine.
What is the SMILES notation for 6-chloro-3-methylpyrimidin-4-imine?
The canonical SMILES for 6-chloro-3-methylpyrimidin-4-imine is [H]/N=c1\cc(Cl)ncn1C.
What is the InChIKey of 6-chloro-3-methylpyrimidin-4-imine?
The InChIKey is WODBGDBFOGEBHW-FNORWQNLSA-N. The full InChI is InChI=1S/C5H6ClN3/c1-9-3-8-4(6)2-5(9)7/h2-3,7H,1H3/b7-5+.
What are the key properties of 6-chloro-3-methylpyrimidin-4-imine?
6-chloro-3-methylpyrimidin-4-imine has a molecular weight of 143.58 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylpyrimidin-4-imine is sourced from PubChem (CID 165357390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).