N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine

C9H14ClN3O — CID 66332895

IUPACN-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC(C)Cl)nc(C)n1
InChIInChI=1S/C9H14ClN3O/c1-6(10)5-11-8-4-9(14-3)13-7(2)12-8/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyRABPXYVVBTXSGH-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.83
Rot. Bonds4

About N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine

N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66332895) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66332895
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC NameN-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC(C)Cl)nc(C)n1
InChIInChI=1S/C9H14ClN3O/c1-6(10)5-11-8-4-9(14-3)13-7(2)12-8/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyRABPXYVVBTXSGH-UHFFFAOYSA-N
XLogP1.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine (CID 66332895) is N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NCC(C)Cl)nc(C)n1.
What is the InChIKey of N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is RABPXYVVBTXSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(10)5-11-8-4-9(14-3)13-7(2)12-8/h4,6H,5H2,1-3H3,(H,11,12,13).
What are the key properties of N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine?
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 215.68 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66332895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).