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

C14H20N4O2 — CID 56738945

IUPACN-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2cnc(CC(C)C)nc2C1
InChIInChI=1S/C14H20N4O2/c1-9(2)4-13-16-5-11-7-18(8-12(11)17-13)14(20)6-15-10(3)19/h5,9H,4,6-8H2,1-3H3,(H,15,19)
InChIKeyHZLMTDQCJJUPML-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.65
Rot. Bonds4

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

N-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide (PubChem CID 56738945) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide
PubChem CID56738945
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2cnc(CC(C)C)nc2C1
InChIInChI=1S/C14H20N4O2/c1-9(2)4-13-16-5-11-7-18(8-12(11)17-13)14(20)6-15-10(3)19/h5,9H,4,6-8H2,1-3H3,(H,15,19)
InChIKeyHZLMTDQCJJUPML-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide (CID 56738945) is N-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1Cc2cnc(CC(C)C)nc2C1.
What is the InChIKey of N-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide?
The InChIKey is HZLMTDQCJJUPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)4-13-16-5-11-7-18(8-12(11)17-13)14(20)6-15-10(3)19/h5,9H,4,6-8H2,1-3H3,(H,15,19).
What are the key properties of N-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide?
N-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 56738945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).