N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine

C24H34ClN5O3 — CID 67198237

IUPACN-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine
SMILESCCOc1cc(CN2CCC(Nc3cnc(N4CCOCC4)nc3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C24H34ClN5O3/c1-3-32-21-13-18(14-22(23(21)25)33-4-2)17-29-7-5-19(6-8-29)28-20-15-26-24(27-16-20)30-9-11-31-12-10-30/h13-16,19,28H,3-12,17H2,1-2H3
InChIKeyRAKHHLWSEGWDRU-UHFFFAOYSA-N
MW476.02 g/mol
LogP3.84
Rot. Bonds9

About N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine

N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine (PubChem CID 67198237) has the molecular formula C24H34ClN5O3 and a molecular weight of 476.02 g/mol. Its IUPAC name is N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine
PubChem CID67198237
Molecular FormulaC24H34ClN5O3
Molecular Weight476.02 g/mol
Exact Mass475.24
IUPAC NameN-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine
SMILESCCOc1cc(CN2CCC(Nc3cnc(N4CCOCC4)nc3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C24H34ClN5O3/c1-3-32-21-13-18(14-22(23(21)25)33-4-2)17-29-7-5-19(6-8-29)28-20-15-26-24(27-16-20)30-9-11-31-12-10-30/h13-16,19,28H,3-12,17H2,1-2H3
InChIKeyRAKHHLWSEGWDRU-UHFFFAOYSA-N
XLogP3.84
TPSA71.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.02
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine 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 N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine?
The IUPAC name of N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine (CID 67198237) is N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine.
What is the SMILES notation for N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine?
The canonical SMILES for N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine is CCOc1cc(CN2CCC(Nc3cnc(N4CCOCC4)nc3)CC2)cc(OCC)c1Cl.
What is the InChIKey of N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine?
The InChIKey is RAKHHLWSEGWDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN5O3/c1-3-32-21-13-18(14-22(23(21)25)33-4-2)17-29-7-5-19(6-8-29)28-20-15-26-24(27-16-20)30-9-11-31-12-10-30/h13-16,19,28H,3-12,17H2,1-2H3.
What are the key properties of N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine?
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine has a molecular weight of 476.02 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine is sourced from PubChem (CID 67198237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).