4,6-dichloro-N-methoxypyrimidin-2-amine

C5H5Cl2N3O — CID 19103931

IUPAC4,6-dichloro-N-methoxypyrimidin-2-amine
SMILESCONc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C5H5Cl2N3O/c1-11-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H,8,9,10)
InChIKeyMXRHEEIXIDHKIY-UHFFFAOYSA-N
MW194.02 g/mol
LogP1.76
Rot. Bonds2

About 4,6-dichloro-N-methoxypyrimidin-2-amine

4,6-dichloro-N-methoxypyrimidin-2-amine (PubChem CID 19103931) has the molecular formula C5H5Cl2N3O and a molecular weight of 194.02 g/mol. Its IUPAC name is 4,6-dichloro-N-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-methoxypyrimidin-2-amine
PubChem CID19103931
Molecular FormulaC5H5Cl2N3O
Molecular Weight194.02 g/mol
Exact Mass192.98
IUPAC Name4,6-dichloro-N-methoxypyrimidin-2-amine
SMILESCONc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C5H5Cl2N3O/c1-11-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H,8,9,10)
InChIKeyMXRHEEIXIDHKIY-UHFFFAOYSA-N
XLogP1.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-methoxypyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N-methoxypyrimidin-2-amine (CID 19103931) is 4,6-dichloro-N-methoxypyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-methoxypyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N-methoxypyrimidin-2-amine is CONc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-methoxypyrimidin-2-amine?
The InChIKey is MXRHEEIXIDHKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3O/c1-11-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H,8,9,10).
What are the key properties of 4,6-dichloro-N-methoxypyrimidin-2-amine?
4,6-dichloro-N-methoxypyrimidin-2-amine has a molecular weight of 194.02 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-methoxypyrimidin-2-amine is sourced from PubChem (CID 19103931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).