N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine

C21H28N6O2S — CID 66683532

IUPACN-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
SMILESCc1cccc(C=NNc2cc(N3CCSC3)nc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C21H28N6O2S/c1-17-3-2-4-18(13-17)15-22-25-19-14-20(27-8-12-30-16-27)24-21(23-19)29-11-7-26-5-9-28-10-6-26/h2-4,13-15H,5-12,16H2,1H3,(H,23,24,25)
InChIKeyNTFLEMZZSBPORY-UHFFFAOYSA-N
MW428.56 g/mol
LogP2.45
Rot. Bonds8

About N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine

N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine (PubChem CID 66683532) has the molecular formula C21H28N6O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
PubChem CID66683532
Molecular FormulaC21H28N6O2S
Molecular Weight428.56 g/mol
Exact Mass428.20
IUPAC NameN-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
SMILESCc1cccc(C=NNc2cc(N3CCSC3)nc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C21H28N6O2S/c1-17-3-2-4-18(13-17)15-22-25-19-14-20(27-8-12-30-16-27)24-21(23-19)29-11-7-26-5-9-28-10-6-26/h2-4,13-15H,5-12,16H2,1H3,(H,23,24,25)
InChIKeyNTFLEMZZSBPORY-UHFFFAOYSA-N
XLogP2.45
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
CID 11453023
6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
CID 10194138
6-N-(2-methoxyethyl)-6-N-methyl-2-N-[(3-methylphenyl)methylideneamino]-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 66682197
N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine
CID 89163617
6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine
CID 11494065
N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681810
N-[(E)-(3-chlorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;1-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]pyridin-2-one
CID 172951665
1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one
CID 172939169

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine?
The IUPAC name of N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine (CID 66683532) is N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine is Cc1cccc(C=NNc2cc(N3CCSC3)nc(OCCN3CCOCC3)n2)c1.
What is the InChIKey of N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine?
The InChIKey is NTFLEMZZSBPORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2S/c1-17-3-2-4-18(13-17)15-22-25-19-14-20(27-8-12-30-16-27)24-21(23-19)29-11-7-26-5-9-28-10-6-26/h2-4,13-15H,5-12,16H2,1H3,(H,23,24,25).
What are the key properties of N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine?
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine has a molecular weight of 428.56 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 66683532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).