2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

C19H20FN5O2 — CID 3232699

IUPAC2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C19H20FN5O2/c1-24(2)19-21-10-15-17(23-19)25(11-14-4-3-9-27-14)18(26)16(22-15)12-5-7-13(20)8-6-12/h5-8,10,14H,3-4,9,11H2,1-2H3/t14-/m1/s1
InChIKeyGGYVYFJFBLRNAW-CQSZACIVSA-N
MW369.40 g/mol
LogP2.24
Rot. Bonds4

About 2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (PubChem CID 3232699) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
PubChem CID3232699
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C19H20FN5O2/c1-24(2)19-21-10-15-17(23-19)25(11-14-4-3-9-27-14)18(26)16(22-15)12-5-7-13(20)8-6-12/h5-8,10,14H,3-4,9,11H2,1-2H3/t14-/m1/s1
InChIKeyGGYVYFJFBLRNAW-CQSZACIVSA-N
XLogP2.24
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3234605
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233794
2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233418
2-(4-methoxyphenoxy)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3234609
6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233955
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233097
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
2-[[5-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide
CID 7758021
7-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 44823519
7-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29090434
4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one
CID 70318202
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 3149137

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The IUPAC name of 2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (CID 3232699) is 2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1.
What is the InChIKey of 2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The InChIKey is GGYVYFJFBLRNAW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-24(2)19-21-10-15-17(23-19)25(11-14-4-3-9-27-14)18(26)16(22-15)12-5-7-13(20)8-6-12/h5-8,10,14H,3-4,9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one has a molecular weight of 369.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is sourced from PubChem (CID 3232699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).