6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione

C19H19N3O4 — CID 71734367

IUPAC6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione
SMILESCC1(C)CC(=O)C2=C(C1)Oc1ccccc1C2c1c(N)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H19N3O4/c1-19(2)7-10(23)14-12(8-19)26-11-6-4-3-5-9(11)13(14)15-16(20)21-18(25)22-17(15)24/h3-6,13H,7-8H2,1-2H3,(H4,20,21,22,24,25)
InChIKeyUONNMVOODPHKLI-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.81
Rot. Bonds1

About 6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione

6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione (PubChem CID 71734367) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione
PubChem CID71734367
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione
SMILESCC1(C)CC(=O)C2=C(C1)Oc1ccccc1C2c1c(N)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H19N3O4/c1-19(2)7-10(23)14-12(8-19)26-11-6-4-3-5-9(11)13(14)15-16(20)21-18(25)22-17(15)24/h3-6,13H,7-8H2,1-2H3,(H4,20,21,22,24,25)
InChIKeyUONNMVOODPHKLI-UHFFFAOYSA-N
XLogP1.81
TPSA118.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

4-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5-hydroxycyclohex-4-ene-1,3-dione
CID 164577008
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CID 102124800
7-bromo-3,3-dimethyl-9-(2-phenyl-1H-indol-3-yl)-4,9-dihydro-2H-xanthen-1-one
CID 102457353
12-(2-hydroxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 57342720
9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one
CID 22295716
12-(2-fluorophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 56839649
5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 118723054
3,3,6,6-tetramethyl-9-[4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 12996042
(5S)-8,8-dimethyl-5-(2-nitrophenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
CID 40540744
8,8-dimethyl-5-(2-nitrophenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
CID 3720230
8,8-dimethyl-5-(5-phenylfuran-2-yl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
CID 18809335
2-[(9S)-2-fluoro-9H-xanthen-9-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 6929761

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione (CID 71734367) is 6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione is CC1(C)CC(=O)C2=C(C1)Oc1ccccc1C2c1c(N)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is UONNMVOODPHKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-19(2)7-10(23)14-12(8-19)26-11-6-4-3-5-9(11)13(14)15-16(20)21-18(25)22-17(15)24/h3-6,13H,7-8H2,1-2H3,(H4,20,21,22,24,25).
What are the key properties of 6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione?
6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 353.38 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 71734367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).