6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane

C26H42N6O2 — CID 158157849

IUPAC6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane
SMILESC.CC(C)(C)N1Cc2nc3n(c(=O)c2C1)CCC3.Cc1nc2c(c(=O)n1C)CN(C(C)(C)C)C2
InChIInChI=1S/C13H19N3O.C12H19N3O.CH4/c1-13(2,3)15-7-9-10(8-15)14-11-5-4-6-16(11)12(9)17;1-8-13-10-7-15(12(2,3)4)6-9(10)11(16)14(8)5;/h4-8H2,1-3H3;6-7H2,1-5H3;1H4
InChIKeyFVXGFGOSLPBTJD-UHFFFAOYSA-N
MW470.66 g/mol
LogP3.14
Rot. Bonds

About 6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane

6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane (PubChem CID 158157849) has the molecular formula C26H42N6O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane.

Molecular Properties

Compound Name6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane
PubChem CID158157849
Molecular FormulaC26H42N6O2
Molecular Weight470.66 g/mol
Exact Mass470.34
IUPAC Name6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane
SMILESC.CC(C)(C)N1Cc2nc3n(c(=O)c2C1)CCC3.Cc1nc2c(c(=O)n1C)CN(C(C)(C)C)C2
InChIInChI=1S/C13H19N3O.C12H19N3O.CH4/c1-13(2,3)15-7-9-10(8-15)14-11-5-4-6-16(11)12(9)17;1-8-13-10-7-15(12(2,3)4)6-9(10)11(16)14(8)5;/h4-8H2,1-3H3;6-7H2,1-5H3;1H4
InChIKeyFVXGFGOSLPBTJD-UHFFFAOYSA-N
XLogP3.14
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane with MolForge

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Launch Full Analysis

Related Compounds

5-Ethyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 118974124
5-Methyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 118974363
5-Tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 132040866
4-Tert-butyl-1,4,8-triazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one
CID 132040868
4-Methyl-1,4,8-triazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one
CID 132046752
Ethane;5-methyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 145047544
Ethane;4-methyl-1,4,8-triazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one
CID 145047587
6-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 70784289
6-({1-[2-(dimethylamino)ethyl]-5-oxo-3-pyrrolidinyl}carbonyl)-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72855234
6-[(1-ethyl-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72877565
6-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97154207
6-[(3S)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97154208

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane?
The IUPAC name of 6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane (CID 158157849) is 6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane.
What is the SMILES notation for 6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane?
The canonical SMILES for 6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane is C.CC(C)(C)N1Cc2nc3n(c(=O)c2C1)CCC3.Cc1nc2c(c(=O)n1C)CN(C(C)(C)C)C2.
What is the InChIKey of 6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane?
The InChIKey is FVXGFGOSLPBTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.C12H19N3O.CH4/c1-13(2,3)15-7-9-10(8-15)14-11-5-4-6-16(11)12(9)17;1-8-13-10-7-15(12(2,3)4)6-9(10)11(16)14(8)5;/h4-8H2,1-3H3;6-7H2,1-5H3;1H4.
What are the key properties of 6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane?
6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane has a molecular weight of 470.66 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one;5-tert-butyl-1,5,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one;methane is sourced from PubChem (CID 158157849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).