3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide

C10H13ClN6O — CID 106279554

IUPAC3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc(Cl)nc2nc[nH]c12)C(N)=O
InChIInChI=1S/C10H13ClN6O/c1-10(2,8(12)18)3-13-6-5-7(15-4-14-5)17-9(11)16-6/h4H,3H2,1-2H3,(H2,12,18)(H2,13,14,15,16,17)
InChIKeyAMJHBGMJJLWLPG-UHFFFAOYSA-N
MW268.71 g/mol
LogP0.93
Rot. Bonds4

About 3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide

3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106279554) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide
PubChem CID106279554
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc(Cl)nc2nc[nH]c12)C(N)=O
InChIInChI=1S/C10H13ClN6O/c1-10(2,8(12)18)3-13-6-5-7(15-4-14-5)17-9(11)16-6/h4H,3H2,1-2H3,(H2,12,18)(H2,13,14,15,16,17)
InChIKeyAMJHBGMJJLWLPG-UHFFFAOYSA-N
XLogP0.93
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697631
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide
CID 113442663
1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol
CID 104697715
5-[(2-chloro-7H-purin-6-yl)amino]-2-methylpentan-1-ol
CID 114152174
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
2-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-7H-purin-6-amine;2,2,2-trifluoroacetic acid
CID 167815073
2-[(2-chloro-7H-purin-6-yl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 53369983
4-[(2-chloro-7H-purin-6-yl)amino]-1-methoxybutan-2-ol
CID 106248433
2-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697583
N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 104697478
2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
CID 104697509

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide (CID 106279554) is 3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1nc(Cl)nc2nc[nH]c12)C(N)=O.
What is the InChIKey of 3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is AMJHBGMJJLWLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-10(2,8(12)18)3-13-6-5-7(15-4-14-5)17-9(11)16-6/h4H,3H2,1-2H3,(H2,12,18)(H2,13,14,15,16,17).
What are the key properties of 3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide?
3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 268.71 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106279554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).