N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide

C10H15N7O — CID 2755806

IUPACN-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide
SMILESNCCNC(=O)CCn1cnc2c(N)ncnc21
InChIInChI=1S/C10H15N7O/c11-2-3-13-7(18)1-4-17-6-16-8-9(12)14-5-15-10(8)17/h5-6H,1-4,11H2,(H,13,18)(H2,12,14,15)
InChIKeyRDDQGYUAZFLPQS-UHFFFAOYSA-N
MW249.28 g/mol
LogP-1.13
Rot. Bonds5

About N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide

N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide (PubChem CID 2755806) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide
PubChem CID2755806
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC NameN-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide
SMILESNCCNC(=O)CCn1cnc2c(N)ncnc21
InChIInChI=1S/C10H15N7O/c11-2-3-13-7(18)1-4-17-6-16-8-9(12)14-5-15-10(8)17/h5-6H,1-4,11H2,(H,13,18)(H2,12,14,15)
InChIKeyRDDQGYUAZFLPQS-UHFFFAOYSA-N
XLogP-1.13
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[2-[[2-[2-aminoethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetic acid
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N-[3-(6-aminopurin-9-yl)propyl]-2-methylprop-2-enamide
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2-(6-aminopurin-9-yl)ethylazanium
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide (CID 2755806) is N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide is NCCNC(=O)CCn1cnc2c(N)ncnc21.
What is the InChIKey of N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide?
The InChIKey is RDDQGYUAZFLPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c11-2-3-13-7(18)1-4-17-6-16-8-9(12)14-5-15-10(8)17/h5-6H,1-4,11H2,(H,13,18)(H2,12,14,15).
What are the key properties of N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide?
N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide has a molecular weight of 249.28 g/mol, XLogP of -1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(6-aminopurin-9-yl)propanamide is sourced from PubChem (CID 2755806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).