5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride

C8H14ClN3O — CID 159577118

IUPAC5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride
SMILESCCOCc1cnc(C)nc1N.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-3-12-5-7-4-10-6(2)11-8(7)9;/h4H,3,5H2,1-2H3,(H2,9,10,11);1H
InChIKeyMINWYDZUDYMVQW-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.33
Rot. Bonds3

About 5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride

5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride (PubChem CID 159577118) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride
PubChem CID159577118
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride
SMILESCCOCc1cnc(C)nc1N.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-3-12-5-7-4-10-6(2)11-8(7)9;/h4H,3,5H2,1-2H3,(H2,9,10,11);1H
InChIKeyMINWYDZUDYMVQW-UHFFFAOYSA-N
XLogP1.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride (CID 159577118) is 5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride is CCOCc1cnc(C)nc1N.Cl.
What is the InChIKey of 5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride?
The InChIKey is MINWYDZUDYMVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c1-3-12-5-7-4-10-6(2)11-8(7)9;/h4H,3,5H2,1-2H3,(H2,9,10,11);1H.
What are the key properties of 5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride?
5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 159577118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).