N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine

C28H34N6O2 — CID 90975025

IUPACN-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine
SMILESC=C(NOc1ncnc(OC2CCN(c3ncc(CC)cn3)CC2)c1C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C28H34N6O2/c1-4-21-16-29-28(30-17-21)34-13-11-25(12-14-34)35-26-19(2)27(32-18-31-26)36-33-20(3)23-10-9-22-7-5-6-8-24(22)15-23/h9-10,15-18,25,33H,3-8,11-14H2,1-2H3
InChIKeyJWAGZINRFQFYFL-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.62
Rot. Bonds8

About N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine

N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine (PubChem CID 90975025) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine.

Molecular Properties

Compound NameN-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine
PubChem CID90975025
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC NameN-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine
SMILESC=C(NOc1ncnc(OC2CCN(c3ncc(CC)cn3)CC2)c1C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C28H34N6O2/c1-4-21-16-29-28(30-17-21)34-13-11-25(12-14-34)35-26-19(2)27(32-18-31-26)36-33-20(3)23-10-9-22-7-5-6-8-24(22)15-23/h9-10,15-18,25,33H,3-8,11-14H2,1-2H3
InChIKeyJWAGZINRFQFYFL-UHFFFAOYSA-N
XLogP4.62
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-(1,3,2-dioxathian-5-yl)phenoxy]-6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidine
CID 91150126
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700905
5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine
CID 90810331
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2,6-dimethylpyridin-3-amine
CID 91615853
5-ethyl-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[3,2-d]pyrimidine
CID 57414870
4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 86665163
1-(4-methoxyphenyl)-N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxyethanimine
CID 87578363
5-ethyl-2-[4-[4-[(4-methylsulfinylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]pyrimidine
CID 66874331
4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile
CID 71491294
2-[4-[4-(2,6-dimethyl-3-pyridinyl)phenoxy]piperidin-1-yl]-5-ethylpyrimidine
CID 91395356
2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine
CID 142711209

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine?
The IUPAC name of N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine (CID 90975025) is N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine.
What is the SMILES notation for N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine?
The canonical SMILES for N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine is C=C(NOc1ncnc(OC2CCN(c3ncc(CC)cn3)CC2)c1C)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine?
The InChIKey is JWAGZINRFQFYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-4-21-16-29-28(30-17-21)34-13-11-25(12-14-34)35-26-19(2)27(32-18-31-26)36-33-20(3)23-10-9-22-7-5-6-8-24(22)15-23/h9-10,15-18,25,33H,3-8,11-14H2,1-2H3.
What are the key properties of N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine?
N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine has a molecular weight of 486.62 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethenamine is sourced from PubChem (CID 90975025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).