2,6-dichloro-3-methylpyrimidin-4-imine

C5H5Cl2N3 — CID 118395274

IUPAC2,6-dichloro-3-methylpyrimidin-4-imine
SMILES[H]/N=c1\cc(Cl)nc(Cl)n1C
InChIInChI=1S/C5H5Cl2N3/c1-10-4(8)2-3(6)9-5(10)7/h2,8H,1H3/b8-4+
InChIKeyJHSRFGYLHGREQD-XBXARRHUSA-N
MW178.02 g/mol
LogP1.21
Rot. Bonds

About 2,6-dichloro-3-methylpyrimidin-4-imine

2,6-dichloro-3-methylpyrimidin-4-imine (PubChem CID 118395274) has the molecular formula C5H5Cl2N3 and a molecular weight of 178.02 g/mol. Its IUPAC name is 2,6-dichloro-3-methylpyrimidin-4-imine.

Molecular Properties

Compound Name2,6-dichloro-3-methylpyrimidin-4-imine
PubChem CID118395274
Molecular FormulaC5H5Cl2N3
Molecular Weight178.02 g/mol
Exact Mass176.99
IUPAC Name2,6-dichloro-3-methylpyrimidin-4-imine
SMILES[H]/N=c1\cc(Cl)nc(Cl)n1C
InChIInChI=1S/C5H5Cl2N3/c1-10-4(8)2-3(6)9-5(10)7/h2,8H,1H3/b8-4+
InChIKeyJHSRFGYLHGREQD-XBXARRHUSA-N
XLogP1.21
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methylpyrimidin-4-imine?
The IUPAC name of 2,6-dichloro-3-methylpyrimidin-4-imine (CID 118395274) is 2,6-dichloro-3-methylpyrimidin-4-imine.
What is the SMILES notation for 2,6-dichloro-3-methylpyrimidin-4-imine?
The canonical SMILES for 2,6-dichloro-3-methylpyrimidin-4-imine is [H]/N=c1\cc(Cl)nc(Cl)n1C.
What is the InChIKey of 2,6-dichloro-3-methylpyrimidin-4-imine?
The InChIKey is JHSRFGYLHGREQD-XBXARRHUSA-N. The full InChI is InChI=1S/C5H5Cl2N3/c1-10-4(8)2-3(6)9-5(10)7/h2,8H,1H3/b8-4+.
What are the key properties of 2,6-dichloro-3-methylpyrimidin-4-imine?
2,6-dichloro-3-methylpyrimidin-4-imine has a molecular weight of 178.02 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methylpyrimidin-4-imine is sourced from PubChem (CID 118395274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).