(2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride

C8H15Cl2N3 — CID 75481807

IUPAC(2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride
SMILESCc1nc(C)c(CN)c(C)n1.Cl.Cl
InChIInChI=1S/C8H13N3.2ClH/c1-5-8(4-9)6(2)11-7(3)10-5;;/h4,9H2,1-3H3;2*1H
InChIKeyUYNYJIDPMZOMAA-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.70
Rot. Bonds1

About (2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride

(2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride (PubChem CID 75481807) has the molecular formula C8H15Cl2N3 and a molecular weight of 224.13 g/mol. Its IUPAC name is (2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride
PubChem CID75481807
Molecular FormulaC8H15Cl2N3
Molecular Weight224.13 g/mol
Exact Mass223.06
IUPAC Name(2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride
SMILESCc1nc(C)c(CN)c(C)n1.Cl.Cl
InChIInChI=1S/C8H13N3.2ClH/c1-5-8(4-9)6(2)11-7(3)10-5;;/h4,9H2,1-3H3;2*1H
InChIKeyUYNYJIDPMZOMAA-UHFFFAOYSA-N
XLogP1.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride?
The IUPAC name of (2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride (CID 75481807) is (2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride?
The canonical SMILES for (2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride is Cc1nc(C)c(CN)c(C)n1.Cl.Cl.
What is the InChIKey of (2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride?
The InChIKey is UYNYJIDPMZOMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2ClH/c1-5-8(4-9)6(2)11-7(3)10-5;;/h4,9H2,1-3H3;2*1H.
What are the key properties of (2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride?
(2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride has a molecular weight of 224.13 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylpyrimidin-5-yl)methanamine;dihydrochloride is sourced from PubChem (CID 75481807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).