2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one

C20H23N7O2 — CID 162655793

IUPAC2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
SMILESCCN(C)c1ncc2c(n1)N(C)CCN(c1cccc(-c3nnc(C)o3)c1)C2=O
InChIInChI=1S/C20H23N7O2/c1-5-25(3)20-21-12-16-17(22-20)26(4)9-10-27(19(16)28)15-8-6-7-14(11-15)18-24-23-13(2)29-18/h6-8,11-12H,5,9-10H2,1-4H3
InChIKeyDJSNETUNRUSFOC-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.39
Rot. Bonds4

About 2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one

2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one (PubChem CID 162655793) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
PubChem CID162655793
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
SMILESCCN(C)c1ncc2c(n1)N(C)CCN(c1cccc(-c3nnc(C)o3)c1)C2=O
InChIInChI=1S/C20H23N7O2/c1-5-25(3)20-21-12-16-17(22-20)26(4)9-10-27(19(16)28)15-8-6-7-14(11-15)18-24-23-13(2)29-18/h6-8,11-12H,5,9-10H2,1-4H3
InChIKeyDJSNETUNRUSFOC-UHFFFAOYSA-N
XLogP2.39
TPSA91.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one with MolForge

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Related Compounds

13-(ethylamino)-8-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
CID 67348767
6-[3-(hydroxymethyl)phenyl]-2,9-dimethyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 146420035
2-(dimethylamino)-9-methyl-6-[3-(4-methyl-1-thiophen-2-ylhexoxy)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one;ethane
CID 145395801
2-[3-[2-(ethylamino)-9-methyl-5-oxo-7,8-dihydropyrimido[4,5-e][1,4]diazepin-6-yl]phenyl]ethyl carbamate
CID 138608034
3-[3-[2-(ethylamino)-9-methyl-5-oxo-7,8-dihydropyrimido[4,5-e][1,4]diazepin-6-yl]phenyl]propyl carbamate
CID 138608019
6-[3-[3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propoxy]phenyl]-9-methyl-2-propyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one;propane
CID 145395967
3-[3-[2-(ethylamino)-9-methyl-5-oxo-7,8-dihydropyrimido[4,5-e][1,4]diazepin-6-yl]phenoxy]propyl carbamate
CID 138607965
(3S)-3-amino-13-ethyl-8-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
CID 67352159
6-[3-[amino-[(Z)-2-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-enyl]amino]phenyl]-2-(ethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 145396090
2-[2-[3-[2-(ethylamino)-9-methyl-5-oxo-7,8-dihydropyrimido[4,5-e][1,4]diazepin-6-yl]phenyl]ethyl]-4-methylbenzenesulfonic acid
CID 146401251
13-(ethylamino)-8-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
CID 77271469
5-[3-[13-(ethylamino)-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one
CID 67352864

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
The IUPAC name of 2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one (CID 162655793) is 2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one.
What is the SMILES notation for 2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
The canonical SMILES for 2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one is CCN(C)c1ncc2c(n1)N(C)CCN(c1cccc(-c3nnc(C)o3)c1)C2=O.
What is the InChIKey of 2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
The InChIKey is DJSNETUNRUSFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-5-25(3)20-21-12-16-17(22-20)26(4)9-10-27(19(16)28)15-8-6-7-14(11-15)18-24-23-13(2)29-18/h6-8,11-12H,5,9-10H2,1-4H3.
What are the key properties of 2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one has a molecular weight of 393.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-9-methyl-6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one is sourced from PubChem (CID 162655793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).