tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine)

C24H22F24N10O4 — CID 139202411

IUPACtetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine)
SMILESCn1cnc2c(N)ncnc21.Cn1cnc2c(N)ncnc21.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C6H7N5.4C3H2F6O/c2*1-11-3-10-4-5(7)8-2-9-6(4)11;4*4-2(5,6)1(10)3(7,8)9/h2*2-3H,1H3,(H2,7,8,9);4*1,10H
InChIKeyNDGMBDFJZTWFCW-UHFFFAOYSA-N
MW970.46 g/mol
LogP5.78
Rot. Bonds

About tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine)

tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine) (PubChem CID 139202411) has the molecular formula C24H22F24N10O4 and a molecular weight of 970.46 g/mol. Its IUPAC name is tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine).

Molecular Properties

Compound Nametetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine)
PubChem CID139202411
Molecular FormulaC24H22F24N10O4
Molecular Weight970.46 g/mol
Exact Mass970.14
IUPAC Nametetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine)
SMILESCn1cnc2c(N)ncnc21.Cn1cnc2c(N)ncnc21.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C6H7N5.4C3H2F6O/c2*1-11-3-10-4-5(7)8-2-9-6(4)11;4*4-2(5,6)1(10)3(7,8)9/h2*2-3H,1H3,(H2,7,8,9);4*1,10H
InChIKeyNDGMBDFJZTWFCW-UHFFFAOYSA-N
XLogP5.78
TPSA220.16 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500970.46
LogP ≤ 55.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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Related Compounds

9-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]purin-6-amine
CID 66425509
1,5-dimethylpyrimidine-2,4-dione;9-methylpurin-6-amine
CID 139146359
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
1-(6-aminopurin-9-yl)ethanone
CID 56662952
2-(6-aminopurin-9-yl)pentane-1,4-diol
CID 58657770
(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
(6-aminopurin-9-yl) acetate
CID 57119110
ethane;2-fluoro-9-methylpurin-6-amine
CID 169190539
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
(2R,3S)-2-[(1R)-1-(6-aminopurin-9-yl)ethoxy]-2-ethynylbutane-1,3-diol
CID 129212729
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine)?
The IUPAC name of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine) (CID 139202411) is tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine).
What is the SMILES notation for tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine)?
The canonical SMILES for tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine) is Cn1cnc2c(N)ncnc21.Cn1cnc2c(N)ncnc21.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine)?
The InChIKey is NDGMBDFJZTWFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N5.4C3H2F6O/c2*1-11-3-10-4-5(7)8-2-9-6(4)11;4*4-2(5,6)1(10)3(7,8)9/h2*2-3H,1H3,(H2,7,8,9);4*1,10H.
What are the key properties of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine)?
tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine) has a molecular weight of 970.46 g/mol, XLogP of 5.78, 0 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,1,1,3,3,3-hexafluoropropan-2-ol);bis(9-methylpurin-6-amine) is sourced from PubChem (CID 139202411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).