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

C13H20N6O — CID 114785534

IUPAC3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1nc(NCC2CC(O)C2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6O/c1-2-3-14-13-18-11(10-12(19-13)17-7-16-10)15-6-8-4-9(20)5-8/h7-9,20H,2-6H2,1H3,(H3,14,15,16,17,18,19)
InChIKeyLHOCCBUGDBVSCB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.36
Rot. Bonds6

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

3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 114785534) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol
PubChem CID114785534
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1nc(NCC2CC(O)C2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6O/c1-2-3-14-13-18-11(10-12(19-13)17-7-16-10)15-6-8-4-9(20)5-8/h7-9,20H,2-6H2,1H3,(H3,14,15,16,17,18,19)
InChIKeyLHOCCBUGDBVSCB-UHFFFAOYSA-N
XLogP1.36
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[[2-(propylamino)-7H-purin-6-yl]amino]cyclobutan-1-ol
CID 114785530
2-N-propyl-6-N-(thian-4-ylmethyl)-7H-purine-2,6-diamine
CID 114786418
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
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-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785089
2-methyl-2-[[2-(propylamino)-7H-purin-6-yl]amino]propane-1,3-diol
CID 114785802
6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114785405
2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide
CID 106179008
2-N-ethyl-6-N-[(1-methylpiperidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784776

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol (CID 114785534) is 3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol is CCCNc1nc(NCC2CC(O)C2)c2[nH]cnc2n1.
What is the InChIKey of 3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is LHOCCBUGDBVSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-2-3-14-13-18-11(10-12(19-13)17-7-16-10)15-6-8-4-9(20)5-8/h7-9,20H,2-6H2,1H3,(H3,14,15,16,17,18,19).
What are the key properties of 3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol?
3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 276.34 g/mol, XLogP of 1.36, 6 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]methyl]cyclobutan-1-ol is sourced from PubChem (CID 114785534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).