2,5-dichloro-N-methylpyrimidin-4-amine

C5H5Cl2N3 — CID 18981247

IUPAC2,5-dichloro-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cl)ncc1Cl
InChIInChI=1S/C5H5Cl2N3/c1-8-4-3(6)2-9-5(7)10-4/h2H,1H3,(H,8,9,10)
InChIKeySWKLMNGSJGGHTG-UHFFFAOYSA-N
MW178.02 g/mol
LogP1.83
Rot. Bonds1

About 2,5-dichloro-N-methylpyrimidin-4-amine

2,5-dichloro-N-methylpyrimidin-4-amine (PubChem CID 18981247) has the molecular formula C5H5Cl2N3 and a molecular weight of 178.02 g/mol. Its IUPAC name is 2,5-dichloro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-methylpyrimidin-4-amine
PubChem CID18981247
Molecular FormulaC5H5Cl2N3
Molecular Weight178.02 g/mol
Exact Mass176.99
IUPAC Name2,5-dichloro-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cl)ncc1Cl
InChIInChI=1S/C5H5Cl2N3/c1-8-4-3(6)2-9-5(7)10-4/h2H,1H3,(H,8,9,10)
InChIKeySWKLMNGSJGGHTG-UHFFFAOYSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methylpyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-methylpyrimidin-4-amine (CID 18981247) is 2,5-dichloro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-methylpyrimidin-4-amine is CNc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-methylpyrimidin-4-amine?
The InChIKey is SWKLMNGSJGGHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3/c1-8-4-3(6)2-9-5(7)10-4/h2H,1H3,(H,8,9,10).
What are the key properties of 2,5-dichloro-N-methylpyrimidin-4-amine?
2,5-dichloro-N-methylpyrimidin-4-amine has a molecular weight of 178.02 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 18981247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).