2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine

C13H22N4O — CID 80658251

IUPAC2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine
SMILESCOCC1CCN(Cc2nc(C)cc(N)n2)CC1
InChIInChI=1S/C13H22N4O/c1-10-7-12(14)16-13(15-10)8-17-5-3-11(4-6-17)9-18-2/h7,11H,3-6,8-9H2,1-2H3,(H2,14,15,16)
InChIKeyVFDKRPQGWVMOMW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.23
Rot. Bonds4

About 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine

2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine (PubChem CID 80658251) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine
PubChem CID80658251
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine
SMILESCOCC1CCN(Cc2nc(C)cc(N)n2)CC1
InChIInChI=1S/C13H22N4O/c1-10-7-12(14)16-13(15-10)8-17-5-3-11(4-6-17)9-18-2/h7,11H,3-6,8-9H2,1-2H3,(H2,14,15,16)
InChIKeyVFDKRPQGWVMOMW-UHFFFAOYSA-N
XLogP1.23
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine (CID 80658251) is 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine is COCC1CCN(Cc2nc(C)cc(N)n2)CC1.
What is the InChIKey of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is VFDKRPQGWVMOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-7-12(14)16-13(15-10)8-17-5-3-11(4-6-17)9-18-2/h7,11H,3-6,8-9H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine?
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80658251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).