6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C16H28N4O — CID 106590209

IUPAC6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(N2CCCC(COC)C2)c1C
InChIInChI=1S/C16H28N4O/c1-11(2)14-18-15(17-4)12(3)16(19-14)20-8-6-7-13(9-20)10-21-5/h11,13H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyLOXYFVYHYQWPEF-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.81
Rot. Bonds5

About 6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106590209) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID106590209
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(N2CCCC(COC)C2)c1C
InChIInChI=1S/C16H28N4O/c1-11(2)14-18-15(17-4)12(3)16(19-14)20-8-6-7-13(9-20)10-21-5/h11,13H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyLOXYFVYHYQWPEF-UHFFFAOYSA-N
XLogP2.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 102971566
6-[3-(methoxymethyl)piperidin-1-yl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106590122
[6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81006221
1-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidine-3-carboxamide
CID 80975607
N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80980822
N,5-dimethyl-6-(4-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80981572
[1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 80993933
5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590175
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961764
6-(2,6-dimethylmorpholin-4-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80981350
N-ethyl-5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80981685
6-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 106590173

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 106590209) is 6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(N2CCCC(COC)C2)c1C.
What is the InChIKey of 6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is LOXYFVYHYQWPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)14-18-15(17-4)12(3)16(19-14)20-8-6-7-13(9-20)10-21-5/h11,13H,6-10H2,1-5H3,(H,17,18,19).
What are the key properties of 6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106590209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).