(2-methoxypyrimidin-4-yl)methanamine;dihydrochloride

C6H11Cl2N3O — CID 122404770

IUPAC(2-methoxypyrimidin-4-yl)methanamine;dihydrochloride
SMILESCOc1nccc(CN)n1.Cl.Cl
InChIInChI=1S/C6H9N3O.2ClH/c1-10-6-8-3-2-5(4-7)9-6;;/h2-3H,4,7H2,1H3;2*1H
InChIKeyMOUOXWWJCCMISL-UHFFFAOYSA-N
MW212.08 g/mol
LogP0.79
Rot. Bonds2

About (2-methoxypyrimidin-4-yl)methanamine;dihydrochloride

(2-methoxypyrimidin-4-yl)methanamine;dihydrochloride (PubChem CID 122404770) has the molecular formula C6H11Cl2N3O and a molecular weight of 212.08 g/mol. Its IUPAC name is (2-methoxypyrimidin-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-methoxypyrimidin-4-yl)methanamine;dihydrochloride
PubChem CID122404770
Molecular FormulaC6H11Cl2N3O
Molecular Weight212.08 g/mol
Exact Mass211.03
IUPAC Name(2-methoxypyrimidin-4-yl)methanamine;dihydrochloride
SMILESCOc1nccc(CN)n1.Cl.Cl
InChIInChI=1S/C6H9N3O.2ClH/c1-10-6-8-3-2-5(4-7)9-6;;/h2-3H,4,7H2,1H3;2*1H
InChIKeyMOUOXWWJCCMISL-UHFFFAOYSA-N
XLogP0.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxypyrimidin-4-yl)methanamine;dihydrochloride?
The IUPAC name of (2-methoxypyrimidin-4-yl)methanamine;dihydrochloride (CID 122404770) is (2-methoxypyrimidin-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2-methoxypyrimidin-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (2-methoxypyrimidin-4-yl)methanamine;dihydrochloride is COc1nccc(CN)n1.Cl.Cl.
What is the InChIKey of (2-methoxypyrimidin-4-yl)methanamine;dihydrochloride?
The InChIKey is MOUOXWWJCCMISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.2ClH/c1-10-6-8-3-2-5(4-7)9-6;;/h2-3H,4,7H2,1H3;2*1H.
What are the key properties of (2-methoxypyrimidin-4-yl)methanamine;dihydrochloride?
(2-methoxypyrimidin-4-yl)methanamine;dihydrochloride has a molecular weight of 212.08 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxypyrimidin-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 122404770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).