N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine

C17H30N4 — CID 83178519

IUPACN-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCCN1c1ncc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C17H30N4/c1-6-15-9-7-8-10-21(15)16-18-11-14(13(2)20-16)12-19-17(3,4)5/h11,15,19H,6-10,12H2,1-5H3
InChIKeyPQLOUYNUUHYBEO-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.44
Rot. Bonds4

About N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 83178519) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID83178519
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCCN1c1ncc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C17H30N4/c1-6-15-9-7-8-10-21(15)16-18-11-14(13(2)20-16)12-19-17(3,4)5/h11,15,19H,6-10,12H2,1-5H3
InChIKeyPQLOUYNUUHYBEO-UHFFFAOYSA-N
XLogP3.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186290
N-[[4-(2-ethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81249915
2-(2-ethylazepan-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 104690134
N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925386
N-[[6-(2-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66458374
N-[[4-methyl-2-(2-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83186348
[1-(5-ethyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279196
2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83185847
N-[[5-(2-ethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107378795
[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 83184365
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83185212
2-methyl-N-[[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 55219733

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine (CID 83178519) is N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine is CCC1CCCCN1c1ncc(CNC(C)(C)C)c(C)n1.
What is the InChIKey of N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PQLOUYNUUHYBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-15-9-7-8-10-21(15)16-18-11-14(13(2)20-16)12-19-17(3,4)5/h11,15,19H,6-10,12H2,1-5H3.
What are the key properties of N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 83178519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).