N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C16H26N6O3 — CID 119599318

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H26N6O3/c1-10(2)6-16(3,8-17)19-11(23)7-22-9-18-13-12(22)14(24)21(5)15(25)20(13)4/h9-10H,6-8,17H2,1-5H3,(H,19,23)
InChIKeyTYHRORXMLIJLHN-UHFFFAOYSA-N
MW350.42 g/mol
LogP-0.69
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 119599318) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID119599318
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H26N6O3/c1-10(2)6-16(3,8-17)19-11(23)7-22-9-18-13-12(22)14(24)21(5)15(25)20(13)4/h9-10H,6-8,17H2,1-5H3,(H,19,23)
InChIKeyTYHRORXMLIJLHN-UHFFFAOYSA-N
XLogP-0.69
TPSA116.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide with MolForge

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 119587584
N-tert-butyl-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 6458777
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 718152
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775835
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-hydroxyethanimidamide
CID 3057490
7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
CID 22105142
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 81487195
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119597741
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,4-dimethylphenyl)acetamide
CID 775363
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 1150897
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane
CID 161164511

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 119599318) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is CC(C)CC(C)(CN)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is TYHRORXMLIJLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-10(2)6-16(3,8-17)19-11(23)7-22-9-18-13-12(22)14(24)21(5)15(25)20(13)4/h9-10H,6-8,17H2,1-5H3,(H,19,23).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 119599318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).