tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate

C19H24N6O4 — CID 118598793

IUPACtert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate
SMILESCN(CC1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21)C(=O)OC(C)(C)C
InChIInChI=1S/C19H24N6O4/c1-18(2,3)29-17(28)24(5)10-19(4)23-15(26)13-7-6-12(16(27)25(13)19)22-14-8-9-20-11-21-14/h6-9,11H,10H2,1-5H3,(H,23,26)(H,20,21,22)
InChIKeyJJLBMZMLQJTVQG-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.66
Rot. Bonds4

About tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate

tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate (PubChem CID 118598793) has the molecular formula C19H24N6O4 and a molecular weight of 400.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate
PubChem CID118598793
Molecular FormulaC19H24N6O4
Molecular Weight400.44 g/mol
Exact Mass400.19
IUPAC Nametert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate
SMILESCN(CC1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21)C(=O)OC(C)(C)C
InChIInChI=1S/C19H24N6O4/c1-18(2,3)29-17(28)24(5)10-19(4)23-15(26)13-7-6-12(16(27)25(13)19)22-14-8-9-20-11-21-14/h6-9,11H,10H2,1-5H3,(H,23,26)(H,20,21,22)
InChIKeyJJLBMZMLQJTVQG-UHFFFAOYSA-N
XLogP1.66
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione
CID 118598605
8-fluoro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118599128
6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one
CID 159193077
3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 160750705
10-methyl-4-(pyrimidin-4-ylamino)-2,9-diazatetracyclo[7.4.0.01,10.02,7]trideca-4,6-diene-3,8-dione
CID 118613761
tert-butyl 8-chloro-1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate
CID 118598921
tert-butyl 8-chloro-5'-fluoro-1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate
CID 118598833
3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
CID 130205279
1'-acetyl-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598994
6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine
CID 159840963
3-[(3-chlorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
CID 155474790
6-[[6-[(E)-2-cyclopropylethenyl]pyrimidin-4-yl]amino]-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598607

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate (CID 118598793) is tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate is CN(CC1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate?
The InChIKey is JJLBMZMLQJTVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4/c1-18(2,3)29-17(28)24(5)10-19(4)23-15(26)13-7-6-12(16(27)25(13)19)22-14-8-9-20-11-21-14/h6-9,11H,10H2,1-5H3,(H,23,26)(H,20,21,22).
What are the key properties of tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate has a molecular weight of 400.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate is sourced from PubChem (CID 118598793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).