2-amino-9-tetradecan-7-yl-1H-purin-6-one

C19H33N5O — CID 137034322

IUPAC2-amino-9-tetradecan-7-yl-1H-purin-6-one
SMILESCCCCCCCC(CCCCCC)n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C19H33N5O/c1-3-5-7-9-11-13-15(12-10-8-6-4-2)24-14-21-16-17(24)22-19(20)23-18(16)25/h14-15H,3-13H2,1-2H3,(H3,20,22,23,25)
InChIKeyMVXIVYVJEYISMU-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.57
Rot. Bonds12

About 2-amino-9-tetradecan-7-yl-1H-purin-6-one

2-amino-9-tetradecan-7-yl-1H-purin-6-one (PubChem CID 137034322) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-amino-9-tetradecan-7-yl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-tetradecan-7-yl-1H-purin-6-one
PubChem CID137034322
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name2-amino-9-tetradecan-7-yl-1H-purin-6-one
SMILESCCCCCCCC(CCCCCC)n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C19H33N5O/c1-3-5-7-9-11-13-15(12-10-8-6-4-2)24-14-21-16-17(24)22-19(20)23-18(16)25/h14-15H,3-13H2,1-2H3,(H3,20,22,23,25)
InChIKeyMVXIVYVJEYISMU-UHFFFAOYSA-N
XLogP4.57
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-9-[(1S,4S)-4-(2-amino-6-oxo-1H-purin-9-yl)-1,4-dihydroxybutyl]-1H-purin-6-one
CID 136669333
2-amino-9-octyl-1H-purin-6-one
CID 135415590
2-amino-9-(1-hydroxypropyl)-1H-purin-6-one
CID 137154787
2-amino-9-tricosa-10,12-diynyl-1H-purin-6-one
CID 136682583
2-amino-9-(1-methoxyethyl)-1H-purin-6-one
CID 135996340
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-9-(1-hydroxyhexan-2-yloxymethyl)-1H-purin-6-one
CID 135749844
2-amino-9-[(1R)-1-[(2S)-1-hydroxy-5-sulfanylpentan-2-yl]oxyethyl]-1H-purin-6-one
CID 142535864
2-amino-6-oxo-9-[1-(1-sulfinamoyloxypropan-2-yloxy)ethyl]-1H-purine;propane
CID 153344787
[3-(2-amino-6-oxo-1H-purin-9-yl)-2-decanoyloxypropyl] decanoate
CID 136880185
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl tridecanoate
CID 135937374
2-amino-9-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]-1H-purin-6-one
CID 136502764

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-tetradecan-7-yl-1H-purin-6-one?
The IUPAC name of 2-amino-9-tetradecan-7-yl-1H-purin-6-one (CID 137034322) is 2-amino-9-tetradecan-7-yl-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-tetradecan-7-yl-1H-purin-6-one?
The canonical SMILES for 2-amino-9-tetradecan-7-yl-1H-purin-6-one is CCCCCCCC(CCCCCC)n1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-tetradecan-7-yl-1H-purin-6-one?
The InChIKey is MVXIVYVJEYISMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-3-5-7-9-11-13-15(12-10-8-6-4-2)24-14-21-16-17(24)22-19(20)23-18(16)25/h14-15H,3-13H2,1-2H3,(H3,20,22,23,25).
What are the key properties of 2-amino-9-tetradecan-7-yl-1H-purin-6-one?
2-amino-9-tetradecan-7-yl-1H-purin-6-one has a molecular weight of 347.51 g/mol, XLogP of 4.57, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-tetradecan-7-yl-1H-purin-6-one is sourced from PubChem (CID 137034322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).