5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine

C21H30N6O3S — CID 66648274

IUPAC5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine
SMILESCCc1ccc(NN=Cc2nc(OCCN3CCOCC3)cc(N3CCOCC3)n2)s1
InChIInChI=1S/C21H30N6O3S/c1-2-17-3-4-21(31-17)25-22-16-18-23-19(27-8-12-29-13-9-27)15-20(24-18)30-14-7-26-5-10-28-11-6-26/h3-4,15-16,25H,2,5-14H2,1H3
InChIKeyUUTCERJDCMEDFT-UHFFFAOYSA-N
MW446.58 g/mol
LogP2.09
Rot. Bonds9

About 5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine

5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine (PubChem CID 66648274) has the molecular formula C21H30N6O3S and a molecular weight of 446.58 g/mol. Its IUPAC name is 5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine
PubChem CID66648274
Molecular FormulaC21H30N6O3S
Molecular Weight446.58 g/mol
Exact Mass446.21
IUPAC Name5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine
SMILESCCc1ccc(NN=Cc2nc(OCCN3CCOCC3)cc(N3CCOCC3)n2)s1
InChIInChI=1S/C21H30N6O3S/c1-2-17-3-4-21(31-17)25-22-16-18-23-19(27-8-12-29-13-9-27)15-20(24-18)30-14-7-26-5-10-28-11-6-26/h3-4,15-16,25H,2,5-14H2,1H3
InChIKeyUUTCERJDCMEDFT-UHFFFAOYSA-N
XLogP2.09
TPSA84.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine with MolForge

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
CID 58060385
2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine
CID 89332245
ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
CID 143533554
3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
CID 66648014
N-[(E)-1-benzofuran-3-ylmethylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine
CID 59673886
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
CID 89358336
N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673923
N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine
CID 58655454
N-[(E)-(2-amino-5-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 11328144
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
N-methyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049464

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine?
The IUPAC name of 5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine (CID 66648274) is 5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine.
What is the SMILES notation for 5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine?
The canonical SMILES for 5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine is CCc1ccc(NN=Cc2nc(OCCN3CCOCC3)cc(N3CCOCC3)n2)s1.
What is the InChIKey of 5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine?
The InChIKey is UUTCERJDCMEDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O3S/c1-2-17-3-4-21(31-17)25-22-16-18-23-19(27-8-12-29-13-9-27)15-20(24-18)30-14-7-26-5-10-28-11-6-26/h3-4,15-16,25H,2,5-14H2,1H3.
What are the key properties of 5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine?
5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine has a molecular weight of 446.58 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine is sourced from PubChem (CID 66648274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).