3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide

C11H15ClN6O — CID 113442663

IUPAC3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H15ClN6O/c1-2-4-13-7(19)3-5-14-9-8-10(16-6-15-8)18-11(12)17-9/h6H,2-5H2,1H3,(H,13,19)(H2,14,15,16,17,18)
InChIKeyYECBKRMEDWHOHI-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.33
Rot. Bonds6

About 3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide

3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide (PubChem CID 113442663) has the molecular formula C11H15ClN6O and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide
PubChem CID113442663
Molecular FormulaC11H15ClN6O
Molecular Weight282.73 g/mol
Exact Mass282.10
IUPAC Name3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H15ClN6O/c1-2-4-13-7(19)3-5-14-9-8-10(16-6-15-8)18-11(12)17-9/h6H,2-5H2,1H3,(H,13,19)(H2,14,15,16,17,18)
InChIKeyYECBKRMEDWHOHI-UHFFFAOYSA-N
XLogP1.33
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.33
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
N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 79632812
N-(3-butoxypropyl)-2-chloro-7H-purin-6-amine
CID 113481188
3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide
CID 106279554
N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 104697478
3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide
CID 62477007
5-[(2-chloro-7H-purin-6-yl)amino]-2-methylpentan-1-ol
CID 114152174
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
CID 104623604
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
4-[(2-chloro-7H-purin-6-yl)amino]-1-methoxybutan-2-ol
CID 106248433

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide (CID 113442663) is 3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide?
The InChIKey is YECBKRMEDWHOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O/c1-2-4-13-7(19)3-5-14-9-8-10(16-6-15-8)18-11(12)17-9/h6H,2-5H2,1H3,(H,13,19)(H2,14,15,16,17,18).
What are the key properties of 3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide?
3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide has a molecular weight of 282.73 g/mol, XLogP of 1.33, 6 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]-N-propylpropanamide is sourced from PubChem (CID 113442663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).