4-(6-aminopurin-9-yl)-N-methylbutanamide

C10H14N6O — CID 63891255

IUPAC4-(6-aminopurin-9-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C10H14N6O/c1-12-7(17)3-2-4-16-6-15-8-9(11)13-5-14-10(8)16/h5-6H,2-4H2,1H3,(H,12,17)(H2,11,13,14)
InChIKeyCEYBMIDKJMSFQN-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.07
Rot. Bonds4

About 4-(6-aminopurin-9-yl)-N-methylbutanamide

4-(6-aminopurin-9-yl)-N-methylbutanamide (PubChem CID 63891255) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(6-aminopurin-9-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(6-aminopurin-9-yl)-N-methylbutanamide
PubChem CID63891255
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-(6-aminopurin-9-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C10H14N6O/c1-12-7(17)3-2-4-16-6-15-8-9(11)13-5-14-10(8)16/h5-6H,2-4H2,1H3,(H,12,17)(H2,11,13,14)
InChIKeyCEYBMIDKJMSFQN-UHFFFAOYSA-N
XLogP-0.07
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-nonylpurin-6-amine
CID 3816519
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide
CID 2755806
N-[3-(6-aminopurin-9-yl)propyl]-2-methylprop-2-enamide
CID 137499406
9-(10-bromodecyl)purin-6-amine
CID 10831944
3-(6-aminopurin-9-yl)propane-1-sulfonic acid
CID 14056435
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
2-[5-(6-aminopurin-9-yl)pentanoylamino]spiro[3.5]nonane-2-carboxylic acid
CID 166356736
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
2-[2-(6-aminopurin-9-yl)ethyl-(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
CID 102148000

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopurin-9-yl)-N-methylbutanamide?
The IUPAC name of 4-(6-aminopurin-9-yl)-N-methylbutanamide (CID 63891255) is 4-(6-aminopurin-9-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(6-aminopurin-9-yl)-N-methylbutanamide?
The canonical SMILES for 4-(6-aminopurin-9-yl)-N-methylbutanamide is CNC(=O)CCCn1cnc2c(N)ncnc21.
What is the InChIKey of 4-(6-aminopurin-9-yl)-N-methylbutanamide?
The InChIKey is CEYBMIDKJMSFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-12-7(17)3-2-4-16-6-15-8-9(11)13-5-14-10(8)16/h5-6H,2-4H2,1H3,(H,12,17)(H2,11,13,14).
What are the key properties of 4-(6-aminopurin-9-yl)-N-methylbutanamide?
4-(6-aminopurin-9-yl)-N-methylbutanamide has a molecular weight of 234.26 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopurin-9-yl)-N-methylbutanamide is sourced from PubChem (CID 63891255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).