N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

C16H28N4 — CID 83189393

IUPACN-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CC(C)CCC2C)ncc1CNC(C)C
InChIInChI=1S/C16H28N4/c1-11(2)17-8-15-9-18-16(19-14(15)5)20-10-12(3)6-7-13(20)4/h9,11-13,17H,6-8,10H2,1-5H3
InChIKeyLPLBGOBVFHIUHV-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.91
Rot. Bonds4

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

N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83189393) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83189393
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CC(C)CCC2C)ncc1CNC(C)C
InChIInChI=1S/C16H28N4/c1-11(2)17-8-15-9-18-16(19-14(15)5)20-10-12(3)6-7-13(20)4/h9,11-13,17H,6-8,10H2,1-5H3
InChIKeyLPLBGOBVFHIUHV-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (CID 83189393) is N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(N2CC(C)CCC2C)ncc1CNC(C)C.
What is the InChIKey of N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is LPLBGOBVFHIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-11(2)17-8-15-9-18-16(19-14(15)5)20-10-12(3)6-7-13(20)4/h9,11-13,17H,6-8,10H2,1-5H3.
What are the key properties of N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83189393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).