(3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol

C20H29N7O — CID 10339935

IUPAC(3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol
SMILESCC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O
InChIInChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
InChIKeyOPOKLUOSXLQAIT-OAHLLOKOSA-N
MW383.50 g/mol
LogP3.38
Rot. Bonds8

About (3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol

(3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol (PubChem CID 10339935) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is (3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name(3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol
PubChem CID10339935
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name(3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol
SMILESCC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O
InChIInChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
InChIKeyOPOKLUOSXLQAIT-OAHLLOKOSA-N
XLogP3.38
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol?
The IUPAC name of (3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol (CID 10339935) is (3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol.
What is the SMILES notation for (3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol?
The canonical SMILES for (3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol is CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O.
What is the InChIKey of (3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol?
The InChIKey is OPOKLUOSXLQAIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-9-7-8-10-21-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1.
What are the key properties of (3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol?
(3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol has a molecular weight of 383.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]pentan-2-ol is sourced from PubChem (CID 10339935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).