N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine

C16H28N4O — CID 115973799

IUPACN-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(C)nc(N2CCCCC2CNC(C)(C)C)n1
InChIInChI=1S/C16H28N4O/c1-12-10-14(21-5)19-15(18-12)20-9-7-6-8-13(20)11-17-16(2,3)4/h10,13,17H,6-9,11H2,1-5H3
InChIKeyVJZHUMIDWSRLHI-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.54
Rot. Bonds4

About N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 115973799) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID115973799
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(C)nc(N2CCCCC2CNC(C)(C)C)n1
InChIInChI=1S/C16H28N4O/c1-12-10-14(21-5)19-15(18-12)20-9-7-6-8-13(20)11-17-16(2,3)4/h10,13,17H,6-9,11H2,1-5H3
InChIKeyVJZHUMIDWSRLHI-UHFFFAOYSA-N
XLogP2.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine (CID 115973799) is N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine is COc1cc(C)nc(N2CCCCC2CNC(C)(C)C)n1.
What is the InChIKey of N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VJZHUMIDWSRLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12-10-14(21-5)19-15(18-12)20-9-7-6-8-13(20)11-17-16(2,3)4/h10,13,17H,6-9,11H2,1-5H3.
What are the key properties of N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115973799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).