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

C14H24N6O — CID 106288919

IUPAC3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol
SMILESCCNc1nc(NCC(O)C(CC)CC)c2[nH]cnc2n1
InChIInChI=1S/C14H24N6O/c1-4-9(5-2)10(21)7-16-12-11-13(18-8-17-11)20-14(19-12)15-6-3/h8-10,21H,4-7H2,1-3H3,(H3,15,16,17,18,19,20)
InChIKeyYAXINZIMSSUGLQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.99
Rot. Bonds8

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

3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol (PubChem CID 106288919) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol
PubChem CID106288919
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol
SMILESCCNc1nc(NCC(O)C(CC)CC)c2[nH]cnc2n1
InChIInChI=1S/C14H24N6O/c1-4-9(5-2)10(21)7-16-12-11-13(18-8-17-11)20-14(19-12)15-6-3/h8-10,21H,4-7H2,1-3H3,(H3,15,16,17,18,19,20)
InChIKeyYAXINZIMSSUGLQ-UHFFFAOYSA-N
XLogP1.99
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114785499
2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine
CID 114785289
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide
CID 114786088
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114785590
(2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114986392
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol (CID 106288919) is 3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol is CCNc1nc(NCC(O)C(CC)CC)c2[nH]cnc2n1.
What is the InChIKey of 3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol?
The InChIKey is YAXINZIMSSUGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-4-9(5-2)10(21)7-16-12-11-13(18-8-17-11)20-14(19-12)15-6-3/h8-10,21H,4-7H2,1-3H3,(H3,15,16,17,18,19,20).
What are the key properties of 3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol?
3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol has a molecular weight of 292.39 g/mol, XLogP of 1.99, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol is sourced from PubChem (CID 106288919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).