2-amino-N-(6-chloro-7H-purin-2-yl)butanamide

C9H11ClN6O — CID 114052303

IUPAC2-amino-N-(6-chloro-7H-purin-2-yl)butanamide
SMILESCCC(N)C(=O)Nc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C9H11ClN6O/c1-2-4(11)8(17)16-9-14-6(10)5-7(15-9)13-3-12-5/h3-4H,2,11H2,1H3,(H2,12,13,14,15,16,17)
InChIKeyAYGQEZCRAVDQTG-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.68
Rot. Bonds3

About 2-amino-N-(6-chloro-7H-purin-2-yl)butanamide

2-amino-N-(6-chloro-7H-purin-2-yl)butanamide (PubChem CID 114052303) has the molecular formula C9H11ClN6O and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-7H-purin-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(6-chloro-7H-purin-2-yl)butanamide
PubChem CID114052303
Molecular FormulaC9H11ClN6O
Molecular Weight254.68 g/mol
Exact Mass254.07
IUPAC Name2-amino-N-(6-chloro-7H-purin-2-yl)butanamide
SMILESCCC(N)C(=O)Nc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C9H11ClN6O/c1-2-4(11)8(17)16-9-14-6(10)5-7(15-9)13-3-12-5/h3-4H,2,11H2,1H3,(H2,12,13,14,15,16,17)
InChIKeyAYGQEZCRAVDQTG-UHFFFAOYSA-N
XLogP0.68
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(6-chloro-7H-purin-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-7H-purin-2-yl)-4-methylpentanamide
CID 114052462
N-(6-chloro-7H-purin-2-yl)heptanamide
CID 114052494
benzyl N-(6-chloro-7H-purin-2-yl)carbamate
CID 130581137
N-(6-chloro-7H-purin-2-yl)thiadiazole-5-carboxamide
CID 114052468
3-amino-N-(6-amino-7H-purin-2-yl)propanamide
CID 140616343
(2R)-2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(5-hydroxypyrimidin-2-yl)butanamide
CID 167288382
N-(6-chloro-7H-purin-2-yl)-2-methylpropane-2-sulfonamide
CID 114052583
(2R)-2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)butanamide
CID 167288380
3-N-(6-chloro-7H-purin-2-yl)benzene-1,3-diamine
CID 87707609
(2S)-2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[4-(trifluoromethyl)pyrimidin-2-yl]butanamide
CID 166565257
N-[6-(2-cyanoethoxy)-7H-purin-2-yl]-2-methylpropanamide
CID 134559993
2-amino-N-(2-methylpyrimidin-5-yl)butanamide
CID 83617934

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-7H-purin-2-yl)butanamide?
The IUPAC name of 2-amino-N-(6-chloro-7H-purin-2-yl)butanamide (CID 114052303) is 2-amino-N-(6-chloro-7H-purin-2-yl)butanamide.
What is the SMILES notation for 2-amino-N-(6-chloro-7H-purin-2-yl)butanamide?
The canonical SMILES for 2-amino-N-(6-chloro-7H-purin-2-yl)butanamide is CCC(N)C(=O)Nc1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of 2-amino-N-(6-chloro-7H-purin-2-yl)butanamide?
The InChIKey is AYGQEZCRAVDQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6O/c1-2-4(11)8(17)16-9-14-6(10)5-7(15-9)13-3-12-5/h3-4H,2,11H2,1H3,(H2,12,13,14,15,16,17).
What are the key properties of 2-amino-N-(6-chloro-7H-purin-2-yl)butanamide?
2-amino-N-(6-chloro-7H-purin-2-yl)butanamide has a molecular weight of 254.68 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-7H-purin-2-yl)butanamide is sourced from PubChem (CID 114052303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).