2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol

C12H20N6O — CID 114785590

IUPAC2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
SMILESCCNc1nc(NC(CO)C(C)C)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6O/c1-4-13-12-17-10-9(14-6-15-10)11(18-12)16-8(5-19)7(2)3/h6-8,19H,4-5H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyLGUFGQJTVLVKHY-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.21
Rot. Bonds6

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

2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol (PubChem CID 114785590) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
PubChem CID114785590
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
SMILESCCNc1nc(NC(CO)C(C)C)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6O/c1-4-13-12-17-10-9(14-6-15-10)11(18-12)16-8(5-19)7(2)3/h6-8,19H,4-5H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyLGUFGQJTVLVKHY-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol (CID 114785590) is 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol is CCNc1nc(NC(CO)C(C)C)c2[nH]cnc2n1.
What is the InChIKey of 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol?
The InChIKey is LGUFGQJTVLVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-4-13-12-17-10-9(14-6-15-10)11(18-12)16-8(5-19)7(2)3/h6-8,19H,4-5H2,1-3H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol?
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol has a molecular weight of 264.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 114785590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).