(2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol

C17H22N6O — CID 25053272

IUPAC(2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(-c2cccnc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H22N6O/c1-4-13(9-24)20-17-21-14(12-6-5-7-18-8-12)15-16(22-17)23(10-19-15)11(2)3/h5-8,10-11,13,24H,4,9H2,1-3H3,(H,20,21,22)/t13-/m1/s1
InChIKeyZTMHTNMYNQWCNP-CYBMUJFWSA-N
MW326.40 g/mol
LogP2.65
Rot. Bonds6

About (2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol

(2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol (PubChem CID 25053272) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol
PubChem CID25053272
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(-c2cccnc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H22N6O/c1-4-13(9-24)20-17-21-14(12-6-5-7-18-8-12)15-16(22-17)23(10-19-15)11(2)3/h5-8,10-11,13,24H,4,9H2,1-3H3,(H,20,21,22)/t13-/m1/s1
InChIKeyZTMHTNMYNQWCNP-CYBMUJFWSA-N
XLogP2.65
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol (CID 25053272) is (2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol is CC[C@H](CO)Nc1nc(-c2cccnc2)c2ncn(C(C)C)c2n1.
What is the InChIKey of (2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol?
The InChIKey is ZTMHTNMYNQWCNP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N6O/c1-4-13(9-24)20-17-21-14(12-6-5-7-18-8-12)15-16(22-17)23(10-19-15)11(2)3/h5-8,10-11,13,24H,4,9H2,1-3H3,(H,20,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol?
(2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol has a molecular weight of 326.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 25053272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).