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

C12H20N6O — CID 114785692

IUPAC3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(NC)nc2nc[nH]c12
InChIInChI=1S/C12H20N6O/c1-3-8(4-5-19)6-14-10-9-11(16-7-15-9)18-12(13-2)17-10/h7-8,19H,3-6H2,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyOYLYCXMUWIEHDI-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.22
Rot. Bonds7

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

3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol (PubChem CID 114785692) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
PubChem CID114785692
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(NC)nc2nc[nH]c12
InChIInChI=1S/C12H20N6O/c1-3-8(4-5-19)6-14-10-9-11(16-7-15-9)18-12(13-2)17-10/h7-8,19H,3-6H2,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyOYLYCXMUWIEHDI-UHFFFAOYSA-N
XLogP1.22
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
CID 114785788
3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol
CID 106288919
2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol
CID 114785002
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
CID 114785448
2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide
CID 106179008
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol (CID 114785692) is 3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol is CCC(CCO)CNc1nc(NC)nc2nc[nH]c12.
What is the InChIKey of 3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol?
The InChIKey is OYLYCXMUWIEHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-3-8(4-5-19)6-14-10-9-11(16-7-15-9)18-12(13-2)17-10/h7-8,19H,3-6H2,1-2H3,(H3,13,14,15,16,17,18).
What are the key properties of 3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol?
3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol has a molecular weight of 264.33 g/mol, XLogP of 1.22, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 114785692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).