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

C14H20N4O2 — CID 56741666

IUPACN-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide
SMILESCCc1ncc2c(n1)CN(C(=O)CC(C)NC(C)=O)C2
InChIInChI=1S/C14H20N4O2/c1-4-13-15-6-11-7-18(8-12(11)17-13)14(20)5-9(2)16-10(3)19/h6,9H,4-5,7-8H2,1-3H3,(H,16,19)
InChIKeyHXCYBAISRYCBTR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.80
Rot. Bonds4

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

N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide (PubChem CID 56741666) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide
PubChem CID56741666
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide
SMILESCCc1ncc2c(n1)CN(C(=O)CC(C)NC(C)=O)C2
InChIInChI=1S/C14H20N4O2/c1-4-13-15-6-11-7-18(8-12(11)17-13)14(20)5-9(2)16-10(3)19/h6,9H,4-5,7-8H2,1-3H3,(H,16,19)
InChIKeyHXCYBAISRYCBTR-UHFFFAOYSA-N
XLogP0.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide?
The IUPAC name of N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide (CID 56741666) is N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide is CCc1ncc2c(n1)CN(C(=O)CC(C)NC(C)=O)C2.
What is the InChIKey of N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide?
The InChIKey is HXCYBAISRYCBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-13-15-6-11-7-18(8-12(11)17-13)14(20)5-9(2)16-10(3)19/h6,9H,4-5,7-8H2,1-3H3,(H,16,19).
What are the key properties of N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide?
N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-oxobutan-2-yl]acetamide is sourced from PubChem (CID 56741666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).