2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate

C25H26N4O3 — CID 155247589

IUPAC2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
SMILESCC(C)COC(=O)N(C)Cc1cccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)c1
InChIInChI=1S/C25H26N4O3/c1-17(2)15-32-25(31)28(3)13-18-8-7-9-19(12-18)21-14-29(20-10-5-4-6-11-20)23-22(21)24(30)27-16-26-23/h4-12,14,16-17H,13,15H2,1-3H3,(H,26,27,30)
InChIKeyLGJSBRWUDGYLAH-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.61
Rot. Bonds6

About 2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate

2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate (PubChem CID 155247589) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
PubChem CID155247589
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
SMILESCC(C)COC(=O)N(C)Cc1cccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)c1
InChIInChI=1S/C25H26N4O3/c1-17(2)15-32-25(31)28(3)13-18-8-7-9-19(12-18)21-14-29(20-10-5-4-6-11-20)23-22(21)24(30)27-16-26-23/h4-12,14,16-17H,13,15H2,1-3H3,(H,26,27,30)
InChIKeyLGJSBRWUDGYLAH-UHFFFAOYSA-N
XLogP4.61
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate with MolForge

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Related Compounds

5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 158755059
2-methylpropyl N-[(3-aminophenyl)methyl]-N-methylcarbamate
CID 43457906
5-[4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 155247476
5-[2-(3-hydroxyazetidin-1-yl)pyrimidin-5-yl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146671191
tert-butyl N-[2-oxo-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]propyl]carbamate
CID 157238322
5-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146671088
tert-butyl N-[[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate;5-(4-isocyanophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane
CID 159560284
7-(3-fluorophenyl)-5-[4-(3-hydroxy-3-methylbutoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138555680
ethenamine;5-(4-fluorophenyl)-7-[3-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanethiol
CID 142556275
3-(4-oxo-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-7-yl)benzoic acid
CID 138543717
5-[4-(2,3-dihydroxypropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-[4-(2,3-dihydroxypropoxy)phenyl]-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;4-[2-hydroxy-3-[4-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]propyl]morpholin-3-one
CID 160826424
N,N-dimethyl-4-[5-(4-methylphenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 138555662

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate?
The IUPAC name of 2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate (CID 155247589) is 2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate is CC(C)COC(=O)N(C)Cc1cccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)c1.
What is the InChIKey of 2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate?
The InChIKey is LGJSBRWUDGYLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17(2)15-32-25(31)28(3)13-18-8-7-9-19(12-18)21-14-29(20-10-5-4-6-11-20)23-22(21)24(30)27-16-26-23/h4-12,14,16-17H,13,15H2,1-3H3,(H,26,27,30).
What are the key properties of 2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate?
2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate has a molecular weight of 430.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-methyl-N-[[3-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 155247589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).