2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine

C14H18ClN5 — CID 154927028

IUPAC2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine
SMILESClc1nc(NC(C2CCC2)C2CCC2)c2[nH]cnc2n1
InChIInChI=1S/C14H18ClN5/c15-14-19-12-11(16-7-17-12)13(20-14)18-10(8-3-1-4-8)9-5-2-6-9/h7-10H,1-6H2,(H2,16,17,18,19,20)
InChIKeyHIQSOTKJBODCNN-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.39
Rot. Bonds4

About 2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine

2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine (PubChem CID 154927028) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine
PubChem CID154927028
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine
SMILESClc1nc(NC(C2CCC2)C2CCC2)c2[nH]cnc2n1
InChIInChI=1S/C14H18ClN5/c15-14-19-12-11(16-7-17-12)13(20-14)18-10(8-3-1-4-8)9-5-2-6-9/h7-10H,1-6H2,(H2,16,17,18,19,20)
InChIKeyHIQSOTKJBODCNN-UHFFFAOYSA-N
XLogP3.39
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
2-chloro-N-(3,4-dimethylcyclohexyl)-7H-purin-6-amine
CID 113442687
2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine
CID 114096303
2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine
CID 114123831
2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine
CID 141233178
2-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697583
2-[(2-chloro-7H-purin-6-yl)amino]-3-methylbutan-1-ol
CID 104697768
2,6-dichloro-7H-purine
CID 10750289
1-(2-chloro-7H-purin-6-yl)-2-(2-cyclohexylethyl)hydrazine
CID 71618002
2-chloro-N-[1-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697597
(2S)-2-[(2-chloro-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 56622135
2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 104697639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine (CID 154927028) is 2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine is Clc1nc(NC(C2CCC2)C2CCC2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine?
The InChIKey is HIQSOTKJBODCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c15-14-19-12-11(16-7-17-12)13(20-14)18-10(8-3-1-4-8)9-5-2-6-9/h7-10H,1-6H2,(H2,16,17,18,19,20).
What are the key properties of 2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine?
2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine has a molecular weight of 291.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 154927028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).