(2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol

C10H15N5O — CID 71745506

IUPAC(2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol
SMILESC[C@H](O)CCc1nc(N)c2ncn(C)c2n1
InChIInChI=1S/C10H15N5O/c1-6(16)3-4-7-13-9(11)8-10(14-7)15(2)5-12-8/h5-6,16H,3-4H2,1-2H3,(H2,11,13,14)/t6-/m0/s1
InChIKeyXEXWEJHSNUTZSB-LURJTMIESA-N
MW221.26 g/mol
LogP0.26
Rot. Bonds3

About (2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol

(2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol (PubChem CID 71745506) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is (2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol
PubChem CID71745506
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name(2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol
SMILESC[C@H](O)CCc1nc(N)c2ncn(C)c2n1
InChIInChI=1S/C10H15N5O/c1-6(16)3-4-7-13-9(11)8-10(14-7)15(2)5-12-8/h5-6,16H,3-4H2,1-2H3,(H2,11,13,14)/t6-/m0/s1
InChIKeyXEXWEJHSNUTZSB-LURJTMIESA-N
XLogP0.26
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-fluoro-9-methylpurin-6-amine
CID 169190539
cyclopropane;9-methylpurine-2,6-diamine
CID 142265839
2-N,2-N,9-trimethylpurine-2,6-diamine
CID 66791926
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
cyclopentylmethyl 4-[3-(6-amino-9-methylpurin-2-yl)propyl]piperidine-1-carboxylate
CID 70915068
9-methyl-2-prop-1-ynylpurin-6-amine
CID 58861794
9-methyl-2-phenylpurin-6-amine
CID 121009217
tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine)
CID 139202411
3-[4-[2-[(6-amino-9-methylpurin-2-yl)amino]ethyl]phenyl]propanoic acid
CID 155061375
5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide
CID 64929209
[(2S)-4-[6-amino-9-methyl-8-(triazol-2-yl)purin-2-yl]butan-2-yl] acetate
CID 71745508
4-(1-methylimidazol-4-yl)butan-2-ol
CID 130509414

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol?
The IUPAC name of (2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol (CID 71745506) is (2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol.
What is the SMILES notation for (2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol?
The canonical SMILES for (2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol is C[C@H](O)CCc1nc(N)c2ncn(C)c2n1.
What is the InChIKey of (2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol?
The InChIKey is XEXWEJHSNUTZSB-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N5O/c1-6(16)3-4-7-13-9(11)8-10(14-7)15(2)5-12-8/h5-6,16H,3-4H2,1-2H3,(H2,11,13,14)/t6-/m0/s1.
What are the key properties of (2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol?
(2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol has a molecular weight of 221.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-amino-9-methylpurin-2-yl)butan-2-ol is sourced from PubChem (CID 71745506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).