2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine

C13H18ClN5 — CID 104787270

IUPAC2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
SMILESCC(C)CCN(c1nc(Cl)nc2nc[nH]c12)C1CC1
InChIInChI=1S/C13H18ClN5/c1-8(2)5-6-19(9-3-4-9)12-10-11(16-7-15-10)17-13(14)18-12/h7-9H,3-6H2,1-2H3,(H,15,16,17,18)
InChIKeyAEWNLHDWHAUJBJ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.02
Rot. Bonds5

About 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine

2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine (PubChem CID 104787270) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
PubChem CID104787270
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
SMILESCC(C)CCN(c1nc(Cl)nc2nc[nH]c12)C1CC1
InChIInChI=1S/C13H18ClN5/c1-8(2)5-6-19(9-3-4-9)12-10-11(16-7-15-10)17-13(14)18-12/h7-9H,3-6H2,1-2H3,(H,15,16,17,18)
InChIKeyAEWNLHDWHAUJBJ-UHFFFAOYSA-N
XLogP3.02
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine
CID 113453078
2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]ethanol
CID 104697863
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-7H-purin-6-amine
CID 104787272
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-chloro-6-(3-methylbutylsulfanyl)-7H-purine
CID 107751341
2-chloro-N-methyl-N-(3-methylbutan-2-yl)-7H-purin-6-amine
CID 104787169
benzyl (2S,3R)-2-[[2-[(2-chloro-7H-purin-6-yl)-cyclopropylamino]acetyl]amino]-3-hydroxybutanoate
CID 46227856
2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 78989121
2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
CID 104787368
2-chloro-N-(5-methylhexyl)-7H-purin-6-amine
CID 113442702
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
CID 104787232
1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine
CID 104787342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine (CID 104787270) is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine is CC(C)CCN(c1nc(Cl)nc2nc[nH]c12)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine?
The InChIKey is AEWNLHDWHAUJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-8(2)5-6-19(9-3-4-9)12-10-11(16-7-15-10)17-13(14)18-12/h7-9H,3-6H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine?
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine has a molecular weight of 279.77 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine is sourced from PubChem (CID 104787270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).