(6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one

C20H24N6O2 — CID 118687440

IUPAC(6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
SMILESCN1C(=O)[C@H]2CCCN2c2nc(Nc3ccc(N4CCOCC4)cc3)ncc21
InChIInChI=1S/C20H24N6O2/c1-24-17-13-21-20(23-18(17)26-8-2-3-16(26)19(24)27)22-14-4-6-15(7-5-14)25-9-11-28-12-10-25/h4-7,13,16H,2-3,8-12H2,1H3,(H,21,22,23)/t16-/m1/s1
InChIKeyLVWCHIJYVCBNQR-MRXNPFEDSA-N
MW380.45 g/mol
LogP2.00
Rot. Bonds3

About (6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one

(6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one (PubChem CID 118687440) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name(6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
PubChem CID118687440
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
SMILESCN1C(=O)[C@H]2CCCN2c2nc(Nc3ccc(N4CCOCC4)cc3)ncc21
InChIInChI=1S/C20H24N6O2/c1-24-17-13-21-20(23-18(17)26-8-2-3-16(26)19(24)27)22-14-4-6-15(7-5-14)25-9-11-28-12-10-25/h4-7,13,16H,2-3,8-12H2,1H3,(H,21,22,23)/t16-/m1/s1
InChIKeyLVWCHIJYVCBNQR-MRXNPFEDSA-N
XLogP2.00
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.00
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

1-cyclopentyl-2-ethyl-4-methyl-7-(4-morpholin-4-ylanilino)pyrimido[5,4-e][1,2,4]triazin-3-one
CID 69187487
5-methyl-2-(4-morpholin-4-ylanilino)-8-propyl-7H-pteridin-6-one
CID 129212841
2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methyl-6a,7-dihydroindolo[2,1-h]pteridin-6-one
CID 155313075
5,11-dimethyl-2-[4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 118684153
(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 91827947
7-(3-chloro-4-morpholin-4-ylanilino)-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one
CID 69188280
1-cyclopentyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 59686676
1-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 175051418
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
CID 89175679
CID 89175679
5,11-dimethyl-3-(3-morpholin-4-ylanilino)pyrimido[5,4-b][1,4]benzodiazepin-6-one
CID 86268637
1-cyclopentyl-N-(4-morpholin-4-ylphenyl)-2,2-dioxopyrimido[4,5-c]thiazin-7-amine
CID 10127168

Frequently Asked Questions

What is the IUPAC name of (6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The IUPAC name of (6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one (CID 118687440) is (6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one.
What is the SMILES notation for (6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The canonical SMILES for (6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one is CN1C(=O)[C@H]2CCCN2c2nc(Nc3ccc(N4CCOCC4)cc3)ncc21.
What is the InChIKey of (6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
The InChIKey is LVWCHIJYVCBNQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-24-17-13-21-20(23-18(17)26-8-2-3-16(26)19(24)27)22-14-4-6-15(7-5-14)25-9-11-28-12-10-25/h4-7,13,16H,2-3,8-12H2,1H3,(H,21,22,23)/t16-/m1/s1.
What are the key properties of (6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one?
(6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one has a molecular weight of 380.45 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-5-methyl-2-(4-morpholin-4-ylanilino)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one is sourced from PubChem (CID 118687440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).