N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide

C11H14N4O3 — CID 175113266

IUPACN-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(c(=O)[nH]1)CN(C(C)C)C2=O
InChIInChI=1S/C11H14N4O3/c1-5(2)15-4-7-8(10(15)18)13-11(12-6(3)16)14-9(7)17/h5H,4H2,1-3H3,(H2,12,13,14,16,17)
InChIKeySEQFDGAYUDDJQH-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.09
Rot. Bonds2

About N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide

N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide (PubChem CID 175113266) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide
PubChem CID175113266
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(c(=O)[nH]1)CN(C(C)C)C2=O
InChIInChI=1S/C11H14N4O3/c1-5(2)15-4-7-8(10(15)18)13-11(12-6(3)16)14-9(7)17/h5H,4H2,1-3H3,(H2,12,13,14,16,17)
InChIKeySEQFDGAYUDDJQH-UHFFFAOYSA-N
XLogP0.09
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide (CID 175113266) is N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide is CC(=O)Nc1nc2c(c(=O)[nH]1)CN(C(C)C)C2=O.
What is the InChIKey of N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide?
The InChIKey is SEQFDGAYUDDJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-5(2)15-4-7-8(10(15)18)13-11(12-6(3)16)14-9(7)17/h5H,4H2,1-3H3,(H2,12,13,14,16,17).
What are the key properties of N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide?
N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide has a molecular weight of 250.26 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dioxo-6-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 175113266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).