N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine

C23H24N4O2S — CID 141072713

IUPACN-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine
SMILESCN(CCOc1ccc(/C=C2/CSCN2)cc1)c1nccc(Oc2ccccc2)n1
InChIInChI=1S/C23H24N4O2S/c1-27(23-24-12-11-22(26-23)29-21-5-3-2-4-6-21)13-14-28-20-9-7-18(8-10-20)15-19-16-30-17-25-19/h2-12,15,25H,13-14,16-17H2,1H3/b19-15-
InChIKeyMNDHXBYJNMPMGZ-CYVLTUHYSA-N
MW420.54 g/mol
LogP4.42
Rot. Bonds8

About N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine

N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine (PubChem CID 141072713) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine
PubChem CID141072713
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine
SMILESCN(CCOc1ccc(/C=C2/CSCN2)cc1)c1nccc(Oc2ccccc2)n1
InChIInChI=1S/C23H24N4O2S/c1-27(23-24-12-11-22(26-23)29-21-5-3-2-4-6-21)13-14-28-20-9-7-18(8-10-20)15-19-16-30-17-25-19/h2-12,15,25H,13-14,16-17H2,1H3/b19-15-
InChIKeyMNDHXBYJNMPMGZ-CYVLTUHYSA-N
XLogP4.42
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-[2-[methyl-[4-(4-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,5-dione
CID 67024026
4-[2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethoxy]benzaldehyde
CID 11588313
3-[[4-(4-fluorophenoxy)pyrimidin-2-yl]-methylamino]propanenitrile
CID 133370504
(5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10288785
(5Z)-5-[[4-[2-[[6-(4-ethoxyphenoxy)pyrimidin-4-yl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10311204
N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 56575420
5-[[4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 57369192
N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine
CID 140996588
5-[[4-[2-[methyl(pyrimidin-4-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74068224
4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine
CID 66823574
4-(4-iodophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64829666
N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50950589

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine (CID 141072713) is N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine is CN(CCOc1ccc(/C=C2/CSCN2)cc1)c1nccc(Oc2ccccc2)n1.
What is the InChIKey of N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine?
The InChIKey is MNDHXBYJNMPMGZ-CYVLTUHYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-27(23-24-12-11-22(26-23)29-21-5-3-2-4-6-21)13-14-28-20-9-7-18(8-10-20)15-19-16-30-17-25-19/h2-12,15,25H,13-14,16-17H2,1H3/b19-15-.
What are the key properties of N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine?
N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine has a molecular weight of 420.54 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenoxy-N-[2-[4-[(Z)-1,3-thiazolidin-4-ylidenemethyl]phenoxy]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 141072713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).