2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one

C14H11FN4O2 — CID 142701785

IUPAC2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2cnc([C@@H]3CCOc4c(F)cccc43)nc2[nH]1
InChIInChI=1S/C14H11FN4O2/c15-9-3-1-2-7-8(4-5-21-11(7)9)12-16-6-10-13(18-12)19-14(20)17-10/h1-3,6,8H,4-5H2,(H2,16,17,18,19,20)/t8-/m1/s1
InChIKeyNXAXRUIJMFMXFP-MRVPVSSYSA-N
MW286.27 g/mol
LogP1.70
Rot. Bonds1

About 2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one

2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one (PubChem CID 142701785) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one
PubChem CID142701785
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2cnc([C@@H]3CCOc4c(F)cccc43)nc2[nH]1
InChIInChI=1S/C14H11FN4O2/c15-9-3-1-2-7-8(4-5-21-11(7)9)12-16-6-10-13(18-12)19-14(20)17-10/h1-3,6,8H,4-5H2,(H2,16,17,18,19,20)/t8-/m1/s1
InChIKeyNXAXRUIJMFMXFP-MRVPVSSYSA-N
XLogP1.70
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one with MolForge

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Related Compounds

(R)-2-(1H-benzo[d]imidazol-1-yl)-9-(8-fluorochroman-4-yl)-7H-purin-8(9H)-one
CID 11844913
2-(benzimidazol-1-yl)-9-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one
CID 11951225
2-(cyclopropylamino)-9-(3-fluorophenyl)-7-(2-methoxybenzyl)-7H-purin-8(9H)-one
CID 44564926
2-(benzimidazol-1-yl)-9-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one
CID 46879423
(+/-)-2-(1H-benzo[d]imidazol-1-yl)-9-(7-fluorochroman-4-yl)-7H-purin-8(9H)-one
CID 46879484
2-(benzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7H-purin-8-one
CID 46879485
(S)-2-(1H-benzo[d]imidazol-1-yl)-9-(8-fluorochroman-4-yl)-7H-purin-8(9H)-one
CID 46879546
9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one
CID 56592817
2-[(5-chloro-2-oxo-1H-pyridin-3-yl)amino]-9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-8-one
CID 71061323
9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[(5-methyl-2-oxo-1H-pyridin-3-yl)amino]-7H-purin-8-one
CID 71061981
9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-[(2-oxo-1H-pyridin-3-yl)amino]-7H-purin-8-one
CID 71617859
8-[2-(2-Methoxyphenyl)ethyl]pteridin-7-one
CID 3232736

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one?
The IUPAC name of 2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one (CID 142701785) is 2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one.
What is the SMILES notation for 2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one?
The canonical SMILES for 2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one is O=c1[nH]c2cnc([C@@H]3CCOc4c(F)cccc43)nc2[nH]1.
What is the InChIKey of 2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one?
The InChIKey is NXAXRUIJMFMXFP-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-9-3-1-2-7-8(4-5-21-11(7)9)12-16-6-10-13(18-12)19-14(20)17-10/h1-3,6,8H,4-5H2,(H2,16,17,18,19,20)/t8-/m1/s1.
What are the key properties of 2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one?
2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one has a molecular weight of 286.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7,9-dihydropurin-8-one is sourced from PubChem (CID 142701785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).