N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

C19H23N5O4S — CID 118724054

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)CC3)cc1
InChIInChI=1S/C19H23N5O4S/c1-27-15-4-2-14(3-5-15)12-20-23-19-21-17-6-11-29(25,26)13-16(17)18(22-19)24-7-9-28-10-8-24/h2-5,12H,6-11,13H2,1H3,(H,21,22,23)/b20-12+
InChIKeyUOYGURJJPUNZDR-UDWIEESQSA-N
MW417.49 g/mol
LogP1.24
Rot. Bonds5

About N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (PubChem CID 118724054) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
PubChem CID118724054
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)CC3)cc1
InChIInChI=1S/C19H23N5O4S/c1-27-15-4-2-14(3-5-15)12-20-23-19-21-17-6-11-29(25,26)13-16(17)18(22-19)24-7-9-28-10-8-24/h2-5,12H,6-11,13H2,1H3,(H,21,22,23)/b20-12+
InChIKeyUOYGURJJPUNZDR-UDWIEESQSA-N
XLogP1.24
TPSA106.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.24
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'}

Analyze N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

4-morpholin-4-yl-6,6-dioxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 118724052
2,6-dimethoxy-4-[(E)-[(4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136998793
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-morpholin-4-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 86345930
4-morpholin-4-yl-N-[(E)-(4-nitrophenyl)methylideneamino]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 86345973
2-N-[(E)-(4-fluorophenyl)methylideneamino]-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171978818
4-N-(4-fluorophenyl)-2-N-[(4-methoxyphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962052
N-[(3,5-dimethoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2848777
N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
CID 71557963
4-[[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3106803
4,6-bis(azepan-1-yl)-N-[(4-methoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine
CID 5186546
N,N-dimethyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide
CID 164784119
2-methoxy-4-[(Z)-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 156588206

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (CID 118724054) is N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is COc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)CC3)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The InChIKey is UOYGURJJPUNZDR-UDWIEESQSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-27-15-4-2-14(3-5-15)12-20-23-19-21-17-6-11-29(25,26)13-16(17)18(22-19)24-7-9-28-10-8-24/h2-5,12H,6-11,13H2,1H3,(H,21,22,23)/b20-12+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine has a molecular weight of 417.49 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 118724054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).