N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine

C23H27N5O2S — CID 58060385

IUPACN-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
SMILESCCc1ccc(C/N=C/c2nc(OCCc3ccccn3)cc(N3CCOCC3)n2)s1
InChIInChI=1S/C23H27N5O2S/c1-2-19-6-7-20(31-19)16-24-17-21-26-22(28-10-13-29-14-11-28)15-23(27-21)30-12-8-18-5-3-4-9-25-18/h3-7,9,15,17H,2,8,10-14,16H2,1H3/b24-17+
InChIKeyYCUCXPKCNXSCCW-JJIBRWJFSA-N
MW437.57 g/mol
LogP3.57
Rot. Bonds9

About N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine

N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine (PubChem CID 58060385) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
PubChem CID58060385
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
SMILESCCc1ccc(C/N=C/c2nc(OCCc3ccccn3)cc(N3CCOCC3)n2)s1
InChIInChI=1S/C23H27N5O2S/c1-2-19-6-7-20(31-19)16-24-17-21-26-22(28-10-13-29-14-11-28)15-23(27-21)30-12-8-18-5-3-4-9-25-18/h3-7,9,15,17H,2,8,10-14,16H2,1H3/b24-17+
InChIKeyYCUCXPKCNXSCCW-JJIBRWJFSA-N
XLogP3.57
TPSA72.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine 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

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
CID 58060102
methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 143450374
5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine
CID 66648274
3-[2-[2-[(3-methylphenyl)methyliminomethyl]-6-morpholin-4-ylpyrimidin-4-yl]oxyethyl]-1,3-oxazolidin-2-one;3-[2-[[4-[(3-methylphenyl)methyliminomethyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-1,3-oxazolidin-2-one;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methanimine
CID 157221648
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
CID 11178549
4-methyl-2-N-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]benzene-1,2-diamine
CID 66648013
N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681810
N-[(E)-(2-iodo-4-pyridinyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 172933395
2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
CID 11454233
4-methyl-2-N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]benzene-1,2-diamine
CID 11235876
5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 140649039

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine (CID 58060385) is N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine is CCc1ccc(C/N=C/c2nc(OCCc3ccccn3)cc(N3CCOCC3)n2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine?
The InChIKey is YCUCXPKCNXSCCW-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-2-19-6-7-20(31-19)16-24-17-21-26-22(28-10-13-29-14-11-28)15-23(27-21)30-12-8-18-5-3-4-9-25-18/h3-7,9,15,17H,2,8,10-14,16H2,1H3/b24-17+.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine?
N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine has a molecular weight of 437.57 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine is sourced from PubChem (CID 58060385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).