4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine

C13H22N4O — CID 80838759

IUPAC4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCC(COC)CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-12(16-13(14-2)15-10)17-6-4-11(5-7-17)9-18-3/h8,11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeySDKUMHUTVCBZOL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.69
Rot. Bonds4

About 4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine

4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 80838759) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine
PubChem CID80838759
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCC(COC)CC2)n1
InChIInChI=1S/C13H22N4O/c1-10-8-12(16-13(14-2)15-10)17-6-4-11(5-7-17)9-18-3/h8,11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeySDKUMHUTVCBZOL-UHFFFAOYSA-N
XLogP1.69
TPSA50.28 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine (CID 80838759) is 4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(N2CCC(COC)CC2)n1.
What is the InChIKey of 4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is SDKUMHUTVCBZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-8-12(16-13(14-2)15-10)17-6-4-11(5-7-17)9-18-3/h8,11H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine?
4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80838759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).