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

C17H24N8O — CID 71518035

IUPAC(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(Nc2ccncn2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H24N8O/c1-10(2)12(7-26)21-17-23-15(22-13-5-6-18-8-19-13)14-16(24-17)25(9-20-14)11(3)4/h5-6,8-12,26H,7H2,1-4H3,(H2,18,19,21,22,23,24)/t12-/m0/s1
InChIKeyVKKIPHDPLVDNSB-LBPRGKRZSA-N
MW356.43 g/mol
LogP2.37
Rot. Bonds7

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

(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol (PubChem CID 71518035) 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-4-ylamino)purin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol
PubChem CID71518035
Molecular FormulaC17H24N8O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(Nc2ccncn2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C17H24N8O/c1-10(2)12(7-26)21-17-23-15(22-13-5-6-18-8-19-13)14-16(24-17)25(9-20-14)11(3)4/h5-6,8-12,26H,7H2,1-4H3,(H2,18,19,21,22,23,24)/t12-/m0/s1
InChIKeyVKKIPHDPLVDNSB-LBPRGKRZSA-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-4-ylamino)purin-2-yl]amino]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(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
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518206
(2S)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-5-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518207
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518375
(2S)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518530
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
2-Methyl-2-[6-[(9-propan-2-ylpurin-8-yl)amino]pyrazin-2-yl]propan-1-ol
CID 71717349
(2R)-3-methyl-2-[[6-[(9-propan-2-ylpurin-8-yl)amino]pyrazin-2-yl]amino]butan-1-ol
CID 71717350
2-[9-Propan-2-yl-6-(pyrimidin-5-ylamino)purin-8-yl]propane-1,3-diol
CID 71717351

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol (CID 71518035) is (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol is CC(C)[C@H](CO)Nc1nc(Nc2ccncn2)c2ncn(C(C)C)c2n1.
What is the InChIKey of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol?
The InChIKey is VKKIPHDPLVDNSB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N8O/c1-10(2)12(7-26)21-17-23-15(22-13-5-6-18-8-19-13)14-16(24-17)25(9-20-14)11(3)4/h5-6,8-12,26H,7H2,1-4H3,(H2,18,19,21,22,23,24)/t12-/m0/s1.
What are the key properties of (2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol?
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyrimidin-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-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 71518035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).