3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol

C12H18N6O — CID 114785530

IUPAC3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol
SMILESCCCNc1nc(NC2CC(O)C2)c2[nH]cnc2n1
InChIInChI=1S/C12H18N6O/c1-2-3-13-12-17-10-9(14-6-15-10)11(18-12)16-7-4-8(19)5-7/h6-8,19H,2-5H2,1H3,(H3,13,14,15,16,17,18)
InChIKeyKIQAAIDTMOIRNQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.11
Rot. Bonds5

About 3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol

3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol (PubChem CID 114785530) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol
PubChem CID114785530
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol
SMILESCCCNc1nc(NC2CC(O)C2)c2[nH]cnc2n1
InChIInChI=1S/C12H18N6O/c1-2-3-13-12-17-10-9(14-6-15-10)11(18-12)16-7-4-8(19)5-7/h6-8,19H,2-5H2,1H3,(H3,13,14,15,16,17,18)
InChIKeyKIQAAIDTMOIRNQ-UHFFFAOYSA-N
XLogP1.11
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol
CID 114785534
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
2-methyl-2-[[2-(propylamino)-7H-purin-6-yl]amino]propane-1,3-diol
CID 114785802
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114785405
2-N-propyl-6-N-(thian-4-ylmethyl)-7H-purine-2,6-diamine
CID 114786418
6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785089
2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide
CID 106179008

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol (CID 114785530) is 3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol is CCCNc1nc(NC2CC(O)C2)c2[nH]cnc2n1.
What is the InChIKey of 3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol?
The InChIKey is KIQAAIDTMOIRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-2-3-13-12-17-10-9(14-6-15-10)11(18-12)16-7-4-8(19)5-7/h6-8,19H,2-5H2,1H3,(H3,13,14,15,16,17,18).
What are the key properties of 3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol?
3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol has a molecular weight of 262.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 114785530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).