3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide

C15H23N5O3 — CID 27873487

IUPAC3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide
SMILESCCC[C@@H](C)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H23N5O3/c1-5-6-10(2)17-11(21)7-8-20-9-16-13-12(20)14(22)19(4)15(23)18(13)3/h9-10H,5-8H2,1-4H3,(H,17,21)/t10-/m1/s1
InChIKeyGZFJXGGVNPMRTE-SNVBAGLBSA-N
MW321.38 g/mol
LogP0.13
Rot. Bonds6

About 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide

3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide (PubChem CID 27873487) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide
PubChem CID27873487
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide
SMILESCCC[C@@H](C)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H23N5O3/c1-5-6-10(2)17-11(21)7-8-20-9-16-13-12(20)14(22)19(4)15(23)18(13)3/h9-10H,5-8H2,1-4H3,(H,17,21)/t10-/m1/s1
InChIKeyGZFJXGGVNPMRTE-SNVBAGLBSA-N
XLogP0.13
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 718152
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 4544769
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 7425559
N-tert-butyl-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 6458777
1,3-dimethyl-7-(3-oxobutyl)purine-2,6-dione
CID 10634405
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
7-(7-hydroxydecyl)-1,3-dimethylpurine-2,6-dione
CID 67820217
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 25390660
7-(3-chloro-3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
CID 70482858
7-(3-bromobutyl)-1,3-dimethylpurine-2,6-dione
CID 21320137
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl (3S)-3-hydroxyhexanoate
CID 95631875
4-tert-butyl-N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoyl]benzamide
CID 25487299

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide?
The IUPAC name of 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide (CID 27873487) is 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide.
What is the SMILES notation for 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide?
The canonical SMILES for 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide is CCC[C@@H](C)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide?
The InChIKey is GZFJXGGVNPMRTE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-5-6-10(2)17-11(21)7-8-20-9-16-13-12(20)14(22)19(4)15(23)18(13)3/h9-10H,5-8H2,1-4H3,(H,17,21)/t10-/m1/s1.
What are the key properties of 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide?
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide has a molecular weight of 321.38 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2R)-pentan-2-yl]propanamide is sourced from PubChem (CID 27873487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).