2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol

C12H20N6O — CID 114785002

IUPAC2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NC)nc2nc[nH]c12
InChIInChI=1S/C12H20N6O/c1-4-12(5-2,6-19)18-10-8-9(15-7-14-8)16-11(13-3)17-10/h7,19H,4-6H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyTYYAZCSIMCNTPA-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.36
Rot. Bonds6

About 2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol

2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol (PubChem CID 114785002) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol
PubChem CID114785002
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NC)nc2nc[nH]c12
InChIInChI=1S/C12H20N6O/c1-4-12(5-2,6-19)18-10-8-9(15-7-14-8)16-11(13-3)17-10/h7,19H,4-6H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyTYYAZCSIMCNTPA-UHFFFAOYSA-N
XLogP1.36
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[[2-(propylamino)-7H-purin-6-yl]amino]propane-1,3-diol
CID 114785802
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
CID 114785692
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680
[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
CID 114785788
1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
CID 114785448
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785663
2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine
CID 114786320

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol (CID 114785002) is 2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol is CCC(CC)(CO)Nc1nc(NC)nc2nc[nH]c12.
What is the InChIKey of 2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol?
The InChIKey is TYYAZCSIMCNTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-4-12(5-2,6-19)18-10-8-9(15-7-14-8)16-11(13-3)17-10/h7,19H,4-6H2,1-3H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol?
2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol has a molecular weight of 264.33 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 2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 114785002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).