[1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine

C24H30N4O — CID 68728237

IUPAC[1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESCC(C)COc1ccc2cc(-c3ccnc(N4CCC(CN)CC4)n3)ccc2c1
InChIInChI=1S/C24H30N4O/c1-17(2)16-29-22-6-5-19-13-21(4-3-20(19)14-22)23-7-10-26-24(27-23)28-11-8-18(15-25)9-12-28/h3-7,10,13-14,17-18H,8-9,11-12,15-16,25H2,1-2H3
InChIKeyQMAALVLJXXUXPQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.51
Rot. Bonds6

About [1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine

[1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine (PubChem CID 68728237) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is [1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine
PubChem CID68728237
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name[1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine
SMILESCC(C)COc1ccc2cc(-c3ccnc(N4CCC(CN)CC4)n3)ccc2c1
InChIInChI=1S/C24H30N4O/c1-17(2)16-29-22-6-5-19-13-21(4-3-20(19)14-22)23-7-10-26-24(27-23)28-11-8-18(15-25)9-12-28/h3-7,10,13-14,17-18H,8-9,11-12,15-16,25H2,1-2H3
InChIKeyQMAALVLJXXUXPQ-UHFFFAOYSA-N
XLogP4.51
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine (CID 68728237) is [1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine is CC(C)COc1ccc2cc(-c3ccnc(N4CCC(CN)CC4)n3)ccc2c1.
What is the InChIKey of [1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
The InChIKey is QMAALVLJXXUXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-17(2)16-29-22-6-5-19-13-21(4-3-20(19)14-22)23-7-10-26-24(27-23)28-11-8-18(15-25)9-12-28/h3-7,10,13-14,17-18H,8-9,11-12,15-16,25H2,1-2H3.
What are the key properties of [1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine?
[1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine has a molecular weight of 390.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[6-(2-methylpropoxy)naphthalen-2-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 68728237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).