6-chloro-9-cyclobutylpurin-2-amine

C9H10ClN5 — CID 14781927

IUPAC6-chloro-9-cyclobutylpurin-2-amine
SMILESNc1nc(Cl)c2ncn(C3CCC3)c2n1
InChIInChI=1S/C9H10ClN5/c10-7-6-8(14-9(11)13-7)15(4-12-6)5-2-1-3-5/h4-5H,1-3H2,(H2,11,13,14)
InChIKeyDYYHHVVBWBPOSD-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.79
Rot. Bonds1

About 6-chloro-9-cyclobutylpurin-2-amine

6-chloro-9-cyclobutylpurin-2-amine (PubChem CID 14781927) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 6-chloro-9-cyclobutylpurin-2-amine.

Molecular Properties

Compound Name6-chloro-9-cyclobutylpurin-2-amine
PubChem CID14781927
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name6-chloro-9-cyclobutylpurin-2-amine
SMILESNc1nc(Cl)c2ncn(C3CCC3)c2n1
InChIInChI=1S/C9H10ClN5/c10-7-6-8(14-9(11)13-7)15(4-12-6)5-2-1-3-5/h4-5H,1-3H2,(H2,11,13,14)
InChIKeyDYYHHVVBWBPOSD-UHFFFAOYSA-N
XLogP1.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
CID 139633326
9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine
CID 142363261
9-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-chloropurin-2-amine
CID 56679930
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
6-amino-9-cyclopentyl-1H-purin-2-one
CID 145422864
2-amino-9-cyclopentyl-1H-purin-6-one
CID 135408673
9-[(2R,4S,5S,9S)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-yl]-6-chloropurin-2-amine
CID 11192108
[(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol
CID 174758303
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine
CID 157481139
9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine
CID 57147797
6-chloro-9-(4-cyclohexylphenyl)purin-2-amine
CID 46931824

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-cyclobutylpurin-2-amine?
The IUPAC name of 6-chloro-9-cyclobutylpurin-2-amine (CID 14781927) is 6-chloro-9-cyclobutylpurin-2-amine.
What is the SMILES notation for 6-chloro-9-cyclobutylpurin-2-amine?
The canonical SMILES for 6-chloro-9-cyclobutylpurin-2-amine is Nc1nc(Cl)c2ncn(C3CCC3)c2n1.
What is the InChIKey of 6-chloro-9-cyclobutylpurin-2-amine?
The InChIKey is DYYHHVVBWBPOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c10-7-6-8(14-9(11)13-7)15(4-12-6)5-2-1-3-5/h4-5H,1-3H2,(H2,11,13,14).
What are the key properties of 6-chloro-9-cyclobutylpurin-2-amine?
6-chloro-9-cyclobutylpurin-2-amine has a molecular weight of 223.67 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-cyclobutylpurin-2-amine is sourced from PubChem (CID 14781927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).