(2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol

C10H15N5O — CID 688447

IUPAC(2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol
SMILESC[C@@H](CO)CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1
InChIKeyXXFACTAYGKKOQB-SSDOTTSWSA-N
MW221.26 g/mol
LogP0.78
Rot. Bonds5

About (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol

(2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol (PubChem CID 688447) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol
PubChem CID688447
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name(2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol
SMILESC[C@@H](CO)CCNc1ncnc2nc[nH]c12
InChIInChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1
InChIKeyXXFACTAYGKKOQB-SSDOTTSWSA-N
XLogP0.78
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol?
The IUPAC name of (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol (CID 688447) is (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol?
The canonical SMILES for (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol is C[C@@H](CO)CCNc1ncnc2nc[nH]c12.
What is the InChIKey of (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol?
The InChIKey is XXFACTAYGKKOQB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol?
(2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol has a molecular weight of 221.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol is sourced from PubChem (CID 688447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).