(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol

C17H24N8O — CID 71518206

IUPAC(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H24N8O/c1-10(2)13(7-26)22-17-23-15(21-12-5-18-8-19-6-12)14-16(24-17)25(9-20-14)11(3)4/h5-6,8-11,13,26H,7H2,1-4H3,(H2,21,22,23,24)/t13-/m0/s1
InChIKeyFQFGDUPFMGYOMB-ZDUSSCGKSA-N
MW356.43 g/mol
LogP2.37
Rot. Bonds7

About (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol

(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol (PubChem CID 71518206) 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-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol
PubChem CID71518206
Molecular FormulaC17H24N8O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H24N8O/c1-10(2)13(7-26)22-17-23-15(21-12-5-18-8-19-6-12)14-16(24-17)25(9-20-14)11(3)4/h5-6,8-11,13,26H,7H2,1-4H3,(H2,21,22,23,24)/t13-/m0/s1
InChIKeyFQFGDUPFMGYOMB-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-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-chloro-9-propan-2-yl-N-pyrimidin-5-ylpurin-6-amine
CID 71517520
(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-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518204
(2S)-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518205
(2S)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518207
9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
CID 71518533
2-[2-(2-Hydroxyethylamino)-9-propan-2-ylpurin-6-yl]guanidine
CID 71654228
2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine
CID 71654386
2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine
CID 71654388
2-[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine
CID 71654390
2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]guanidine
CID 71654392

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol (CID 71518206) is (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol is CC(C)[C@H](CO)Nc1nc(Nc2cncnc2)c2ncn(C(C)C)c2n1.
What is the InChIKey of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol?
The InChIKey is FQFGDUPFMGYOMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N8O/c1-10(2)13(7-26)22-17-23-15(21-12-5-18-8-19-6-12)14-16(24-17)25(9-20-14)11(3)4/h5-6,8-11,13,26H,7H2,1-4H3,(H2,21,22,23,24)/t13-/m0/s1.
What are the key properties of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol?
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-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-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 71518206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).