N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

C16H28N4O — CID 83179109

IUPACN-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCCOC1CCCN(c2ncc(CNC(C)C)c(C)n2)C1
InChIInChI=1S/C16H28N4O/c1-5-21-15-7-6-8-20(11-15)16-18-10-14(13(4)19-16)9-17-12(2)3/h10,12,15,17H,5-9,11H2,1-4H3
InChIKeyCQMQXDIMWAVQRH-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.29
Rot. Bonds6

About N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83179109) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83179109
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCCOC1CCCN(c2ncc(CNC(C)C)c(C)n2)C1
InChIInChI=1S/C16H28N4O/c1-5-21-15-7-6-8-20(11-15)16-18-10-14(13(4)19-16)9-17-12(2)3/h10,12,15,17H,5-9,11H2,1-4H3
InChIKeyCQMQXDIMWAVQRH-UHFFFAOYSA-N
XLogP2.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (CID 83179109) is N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is CCOC1CCCN(c2ncc(CNC(C)C)c(C)n2)C1.
What is the InChIKey of N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is CQMQXDIMWAVQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-21-15-7-6-8-20(11-15)16-18-10-14(13(4)19-16)9-17-12(2)3/h10,12,15,17H,5-9,11H2,1-4H3.
What are the key properties of N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83179109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).