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

C16H21N7O — CID 71717942

IUPAC2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol
SMILESCC(C)n1cnc2c(Nc3ccncn3)nc(C(C)(C)CO)nc21
InChIInChI=1S/C16H21N7O/c1-10(2)23-9-19-12-13(20-11-5-6-17-8-18-11)21-15(22-14(12)23)16(3,4)7-24/h5-6,8-10,24H,7H2,1-4H3,(H,17,18,20,21,22)
InChIKeyKFPJAZJGEGSONG-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.21
Rot. Bonds5

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

2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol (PubChem CID 71717942) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol
PubChem CID71717942
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol
SMILESCC(C)n1cnc2c(Nc3ccncn3)nc(C(C)(C)CO)nc21
InChIInChI=1S/C16H21N7O/c1-10(2)23-9-19-12-13(20-11-5-6-17-8-18-11)21-15(22-14(12)23)16(3,4)7-24/h5-6,8-10,24H,7H2,1-4H3,(H,17,18,20,21,22)
InChIKeyKFPJAZJGEGSONG-UHFFFAOYSA-N
XLogP2.21
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol with MolForge

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Related Compounds

Detiviciclovir
CID 3025970
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
(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
9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
CID 71518533
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 2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol (CID 71717942) is 2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol is CC(C)n1cnc2c(Nc3ccncn3)nc(C(C)(C)CO)nc21.
What is the InChIKey of 2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol?
The InChIKey is KFPJAZJGEGSONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10(2)23-9-19-12-13(20-11-5-6-17-8-18-11)21-15(22-14(12)23)16(3,4)7-24/h5-6,8-10,24H,7H2,1-4H3,(H,17,18,20,21,22).
What are the key properties of 2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol?
2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol has a molecular weight of 327.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]propan-1-ol is sourced from PubChem (CID 71717942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).