2-chloro-N,7-bis(2-methylpropyl)purin-6-amine

C13H20ClN5 — CID 82460374

IUPAC2-chloro-N,7-bis(2-methylpropyl)purin-6-amine
SMILESCC(C)CNc1nc(Cl)nc2ncn(CC(C)C)c12
InChIInChI=1S/C13H20ClN5/c1-8(2)5-15-11-10-12(18-13(14)17-11)16-7-19(10)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyZEGFEDVEUQXFTI-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.20
Rot. Bonds5

About 2-chloro-N,7-bis(2-methylpropyl)purin-6-amine

2-chloro-N,7-bis(2-methylpropyl)purin-6-amine (PubChem CID 82460374) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-N,7-bis(2-methylpropyl)purin-6-amine.

Molecular Properties

Compound Name2-chloro-N,7-bis(2-methylpropyl)purin-6-amine
PubChem CID82460374
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name2-chloro-N,7-bis(2-methylpropyl)purin-6-amine
SMILESCC(C)CNc1nc(Cl)nc2ncn(CC(C)C)c12
InChIInChI=1S/C13H20ClN5/c1-8(2)5-15-11-10-12(18-13(14)17-11)16-7-19(10)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyZEGFEDVEUQXFTI-UHFFFAOYSA-N
XLogP3.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-chloro-7-(2-methylpropyl)purin-6-yl]amino]-2-methylpropan-1-ol
CID 82460380
7-butan-2-yl-2-chloro-N-ethylpurin-6-amine
CID 82460383
N-(2-chloro-7-ethylpurin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82460256
2-chloro-N-pentyl-7-propan-2-ylpurin-6-amine
CID 82460304
2-[(7-butan-2-yl-2-chloropurin-6-yl)amino]ethanol
CID 82460403
2-chloro-N-cyclopropyl-7-ethylpurin-6-amine
CID 82460237
N-benzyl-2-chloro-7-propan-2-ylpurin-6-amine
CID 82460318
2-chloro-7-[(4-chlorophenyl)methyl]-N-(1-cyclopropylethyl)purin-6-amine
CID 154076062
2-chloro-7-cyclopentyl-N-ethylpurin-6-amine
CID 82460473
7-benzyl-2-chloro-N-(4-chlorophenyl)purin-6-amine
CID 59322263
2-chloro-7-[2-(4-chlorophenyl)ethyl]-N-(2-cyclopropylethyl)purin-6-amine
CID 90318644
2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 118558594

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,7-bis(2-methylpropyl)purin-6-amine?
The IUPAC name of 2-chloro-N,7-bis(2-methylpropyl)purin-6-amine (CID 82460374) is 2-chloro-N,7-bis(2-methylpropyl)purin-6-amine.
What is the SMILES notation for 2-chloro-N,7-bis(2-methylpropyl)purin-6-amine?
The canonical SMILES for 2-chloro-N,7-bis(2-methylpropyl)purin-6-amine is CC(C)CNc1nc(Cl)nc2ncn(CC(C)C)c12.
What is the InChIKey of 2-chloro-N,7-bis(2-methylpropyl)purin-6-amine?
The InChIKey is ZEGFEDVEUQXFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-8(2)5-15-11-10-12(18-13(14)17-11)16-7-19(10)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,15,17,18).
What are the key properties of 2-chloro-N,7-bis(2-methylpropyl)purin-6-amine?
2-chloro-N,7-bis(2-methylpropyl)purin-6-amine has a molecular weight of 281.79 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,7-bis(2-methylpropyl)purin-6-amine is sourced from PubChem (CID 82460374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).