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

C14H20N4O2 — CID 56740037

IUPACN-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide
SMILESCCc1ncc2c(n1)CN(C(=O)CNC(=O)C(C)C)C2
InChIInChI=1S/C14H20N4O2/c1-4-12-15-5-10-7-18(8-11(10)17-12)13(19)6-16-14(20)9(2)3/h5,9H,4,6-8H2,1-3H3,(H,16,20)
InChIKeySXQYTMGLZYWRGI-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.65
Rot. Bonds4

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

N-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide (PubChem CID 56740037) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide
PubChem CID56740037
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide
SMILESCCc1ncc2c(n1)CN(C(=O)CNC(=O)C(C)C)C2
InChIInChI=1S/C14H20N4O2/c1-4-12-15-5-10-7-18(8-11(10)17-12)13(19)6-16-14(20)9(2)3/h5,9H,4,6-8H2,1-3H3,(H,16,20)
InChIKeySXQYTMGLZYWRGI-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-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide (CID 56740037) is N-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide is CCc1ncc2c(n1)CN(C(=O)CNC(=O)C(C)C)C2.
What is the InChIKey of N-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide?
The InChIKey is SXQYTMGLZYWRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-12-15-5-10-7-18(8-11(10)17-12)13(19)6-16-14(20)9(2)3/h5,9H,4,6-8H2,1-3H3,(H,16,20).
What are the key properties of N-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide?
N-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide 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-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 56740037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).