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

C12H20N6O — CID 114986392

IUPAC(2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
SMILESCCNc1nc(N[C@H](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)/t8-/m1/s1
InChIKeyLGUFGQJTVLVKHY-MRVPVSSYSA-N
MW264.33 g/mol
LogP1.21
Rot. Bonds6

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

(2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol (PubChem CID 114986392) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is (2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
PubChem CID114986392
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name(2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
SMILESCCNc1nc(N[C@H](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)/t8-/m1/s1
InChIKeyLGUFGQJTVLVKHY-MRVPVSSYSA-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 (2S)-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

Related Compounds

2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114785590
2-[(2-chloro-7H-purin-6-yl)amino]-3-methylbutan-1-ol
CID 104697768
2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
CID 114785349
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-N-(2-methylpropyl)acetamide
CID 114786088
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114786059
2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine
CID 114785289
3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol
CID 106288919
[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclopentyl]methanol
CID 114784996
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol (CID 114986392) is (2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol is CCNc1nc(N[C@H](CO)C(C)C)c2[nH]cnc2n1.
What is the InChIKey of (2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol?
The InChIKey is LGUFGQJTVLVKHY-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of (2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol?
(2S)-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 (2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 114986392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).