1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine

C21H25N5O3S — CID 10127168

IUPAC1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine
SMILESO=S1(=O)C=Cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2N1C1CCCC1
InChIInChI=1S/C21H25N5O3S/c27-30(28)14-9-16-15-22-21(24-20(16)26(30)19-3-1-2-4-19)23-17-5-7-18(8-6-17)25-10-12-29-13-11-25/h5-9,14-15,19H,1-4,10-13H2,(H,22,23,24)
InChIKeyUKHOBCDWIGKOFO-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.12
Rot. Bonds4

About 1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine

1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine (PubChem CID 10127168) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine
PubChem CID10127168
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine
SMILESO=S1(=O)C=Cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2N1C1CCCC1
InChIInChI=1S/C21H25N5O3S/c27-30(28)14-9-16-15-22-21(24-20(16)26(30)19-3-1-2-4-19)23-17-5-7-18(8-6-17)25-10-12-29-13-11-25/h5-9,14-15,19H,1-4,10-13H2,(H,22,23,24)
InChIKeyUKHOBCDWIGKOFO-UHFFFAOYSA-N
XLogP3.12
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
1-cyclopentyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 59686676
1-cyclopentyl-2-ethyl-4-methyl-7-(4-morpholin-4-ylanilino)pyrimido[5,4-e][1,2,4]triazin-3-one
CID 69187487
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11710471
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878
(3S)-1-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 165402838
(6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 118687440
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine
CID 143262426
1-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 175051418
CID 89175679
CID 89175679
tert-butyl 4-[4-[(1-cyclopentyl-2,2-dioxo-3,4-dihydropyrimido[4,5-c]thiazin-7-yl)amino]phenyl]piperazine-1-carboxylate
CID 10128647

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine?
The IUPAC name of 1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine (CID 10127168) is 1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine.
What is the SMILES notation for 1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine?
The canonical SMILES for 1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine is O=S1(=O)C=Cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine?
The InChIKey is UKHOBCDWIGKOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c27-30(28)14-9-16-15-22-21(24-20(16)26(30)19-3-1-2-4-19)23-17-5-7-18(8-6-17)25-10-12-29-13-11-25/h5-9,14-15,19H,1-4,10-13H2,(H,22,23,24).
What are the key properties of 1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine?
1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine has a molecular weight of 427.53 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine is sourced from PubChem (CID 10127168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).