9-butyl-2-chloro-N-methylpurin-6-amine

C10H14ClN5 — CID 142222305

IUPAC9-butyl-2-chloro-N-methylpurin-6-amine
SMILESCCCCn1cnc2c(NC)nc(Cl)nc21
InChIInChI=1S/C10H14ClN5/c1-3-4-5-16-6-13-7-8(12-2)14-10(11)15-9(7)16/h6H,3-5H2,1-2H3,(H,12,14,15)
InChIKeyJJAOXADXYMCYRN-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.32
Rot. Bonds4

About 9-butyl-2-chloro-N-methylpurin-6-amine

9-butyl-2-chloro-N-methylpurin-6-amine (PubChem CID 142222305) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 9-butyl-2-chloro-N-methylpurin-6-amine.

Molecular Properties

Compound Name9-butyl-2-chloro-N-methylpurin-6-amine
PubChem CID142222305
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name9-butyl-2-chloro-N-methylpurin-6-amine
SMILESCCCCn1cnc2c(NC)nc(Cl)nc21
InChIInChI=1S/C10H14ClN5/c1-3-4-5-16-6-13-7-8(12-2)14-10(11)15-9(7)16/h6H,3-5H2,1-2H3,(H,12,14,15)
InChIKeyJJAOXADXYMCYRN-UHFFFAOYSA-N
XLogP2.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-[2-[2-chloro-6-(methylamino)purin-9-yl]ethyl]propanedioate
CID 10641015
2-chloro-9-[(2-chlorophenyl)methyl]-N-methylpurin-6-amine
CID 54051665
2-chloro-9-[(4-chloro-3-fluorophenyl)methyl]-N-methylpurin-6-amine
CID 171621164
2,6-dichloro-9-[(E)-hept-4-enyl]purine
CID 18440611
9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine
CID 11733801
6-chloro-9-pentylpurin-2-amine
CID 139201177
1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117082328
3-[[2-chloro-6-(methylamino)purin-9-yl]methyl]benzoic acid
CID 171621037
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-9-propylpurin-6-amine
CID 18002244
N-(2-aminophenyl)-4-[[(9-butyl-2-chloropurin-6-yl)amino]methyl]benzamide
CID 10114795
9-(3-bromopropyl)-2-chloro-6-methoxypurine
CID 87244085
9-butyl-N-cyclopropylpurin-6-amine
CID 10799535

Frequently Asked Questions

What is the IUPAC name of 9-butyl-2-chloro-N-methylpurin-6-amine?
The IUPAC name of 9-butyl-2-chloro-N-methylpurin-6-amine (CID 142222305) is 9-butyl-2-chloro-N-methylpurin-6-amine.
What is the SMILES notation for 9-butyl-2-chloro-N-methylpurin-6-amine?
The canonical SMILES for 9-butyl-2-chloro-N-methylpurin-6-amine is CCCCn1cnc2c(NC)nc(Cl)nc21.
What is the InChIKey of 9-butyl-2-chloro-N-methylpurin-6-amine?
The InChIKey is JJAOXADXYMCYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-3-4-5-16-6-13-7-8(12-2)14-10(11)15-9(7)16/h6H,3-5H2,1-2H3,(H,12,14,15).
What are the key properties of 9-butyl-2-chloro-N-methylpurin-6-amine?
9-butyl-2-chloro-N-methylpurin-6-amine has a molecular weight of 239.71 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-2-chloro-N-methylpurin-6-amine is sourced from PubChem (CID 142222305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).