(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol

C17H24N8O — CID 71518375

IUPAC(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H24N8O/c1-10(2)13(8-26)22-17-23-15(21-12-5-6-19-20-7-12)14-16(24-17)25(9-18-14)11(3)4/h5-7,9-11,13,26H,8H2,1-4H3,(H2,19,21,22,23,24)/t13-/m0/s1
InChIKeyHFEVNTGRPXCJIM-ZDUSSCGKSA-N
MW356.43 g/mol
LogP2.37
Rot. Bonds7

About (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol

(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol (PubChem CID 71518375) has the molecular formula C17H24N8O and a molecular weight of 356.43 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
PubChem CID71518375
Molecular FormulaC17H24N8O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H24N8O/c1-10(2)13(8-26)22-17-23-15(21-12-5-6-19-20-7-12)14-16(24-17)25(9-18-14)11(3)4/h5-7,9-11,13,26H,8H2,1-4H3,(H2,19,21,22,23,24)/t13-/m0/s1
InChIKeyHFEVNTGRPXCJIM-ZDUSSCGKSA-N
XLogP2.37
TPSA113.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(R)-2-[9-Isopropyl-6-(pyridin-2-ylamino)-9H-purin-2-ylamino]-butan-1-ol
CID 69069650
(2S)-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol
CID 10268893
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridin-2-ylamino)purin-2-yl]amino]butan-1-ol
CID 71517685
(2R)-2-[[9-propan-2-yl-6-(pyridin-3-ylamino)purin-2-yl]amino]butan-1-ol
CID 71517687
(2S)-2-[[9-propan-2-yl-6-(pyridin-3-ylamino)purin-2-yl]amino]butan-1-ol
CID 71517688
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridin-3-ylamino)purin-2-yl]amino]butan-1-ol
CID 71517855
(2S)-3-methyl-2-[[9-propan-2-yl-6-(pyridin-3-ylamino)purin-2-yl]amino]butan-1-ol
CID 71517856
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71517859
(2S)-3-methyl-2-[[9-propan-2-yl-6-(pyridin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71517860
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518035
(2S)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518036
(2R)-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518373

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol (CID 71518375) is (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol is CC(C)[C@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1.
What is the InChIKey of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol?
The InChIKey is HFEVNTGRPXCJIM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N8O/c1-10(2)13(8-26)22-17-23-15(21-12-5-6-19-20-7-12)14-16(24-17)25(9-18-14)11(3)4/h5-7,9-11,13,26H,8H2,1-4H3,(H2,19,21,22,23,24)/t13-/m0/s1.
What are the key properties of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol?
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol has a molecular weight of 356.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 71518375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).