N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide

C14H22N4O2 — CID 118780842

IUPACN-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide
SMILESCCC(C)NC(=O)CN1Cc2nc(C)n(C)c(=O)c2C1
InChIInChI=1S/C14H22N4O2/c1-5-9(2)15-13(19)8-18-6-11-12(7-18)16-10(3)17(4)14(11)20/h9H,5-8H2,1-4H3,(H,15,19)
InChIKeyIQFFKWXJGSWXLM-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.32
Rot. Bonds4

About N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide

N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide (PubChem CID 118780842) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide
PubChem CID118780842
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide
SMILESCCC(C)NC(=O)CN1Cc2nc(C)n(C)c(=O)c2C1
InChIInChI=1S/C14H22N4O2/c1-5-9(2)15-13(19)8-18-6-11-12(7-18)16-10(3)17(4)14(11)20/h9H,5-8H2,1-4H3,(H,15,19)
InChIKeyIQFFKWXJGSWXLM-UHFFFAOYSA-N
XLogP0.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo(3,4-d)pyrimidin-4-one dihydrochloride hydrate
CID 75530977
2-methyl-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one hydrochloride
CID 136666284
(2S)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide
CID 125168747
2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108511
2-methyl-6-(2,2,2-trifluoroacetyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137308006
2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 51072226
2-methyl-3-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83895444
2-(aminomethyl)-6-(2,2,2-trifluoroethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136311424
2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide
CID 59959661
2-[2,4-dimethyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 60092752
2-[2,4-dimethyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092907
tert-Butyl 2-methyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 136011116

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide (CID 118780842) is N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide is CCC(C)NC(=O)CN1Cc2nc(C)n(C)c(=O)c2C1.
What is the InChIKey of N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide?
The InChIKey is IQFFKWXJGSWXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-9(2)15-13(19)8-18-6-11-12(7-18)16-10(3)17(4)14(11)20/h9H,5-8H2,1-4H3,(H,15,19).
What are the key properties of N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide?
N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 118780842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).