N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

C16H26N4 — CID 83186135

IUPACN-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCCC1CCCN(c2ncc(CNC3CC3)c(C)n2)C1
InChIInChI=1S/C16H26N4/c1-3-13-5-4-8-20(11-13)16-18-10-14(12(2)19-16)9-17-15-6-7-15/h10,13,15,17H,3-9,11H2,1-2H3
InChIKeyZJUIDHYFYWOFBA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.66
Rot. Bonds5

About N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 83186135) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID83186135
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCCC1CCCN(c2ncc(CNC3CC3)c(C)n2)C1
InChIInChI=1S/C16H26N4/c1-3-13-5-4-8-20(11-13)16-18-10-14(12(2)19-16)9-17-15-6-7-15/h10,13,15,17H,3-9,11H2,1-2H3
InChIKeyZJUIDHYFYWOFBA-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (CID 83186135) is N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is CCC1CCCN(c2ncc(CNC3CC3)c(C)n2)C1.
What is the InChIKey of N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is ZJUIDHYFYWOFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-13-5-4-8-20(11-13)16-18-10-14(12(2)19-16)9-17-15-6-7-15/h10,13,15,17H,3-9,11H2,1-2H3.
What are the key properties of N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83186135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).