1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione

C20H14FN3O3 — CID 4299198

IUPAC1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCC1=Nc2ccccc2C1=Cc1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H14FN3O3/c1-11-15(14-4-2-3-5-17(14)22-11)10-16-18(25)23-20(27)24(19(16)26)13-8-6-12(21)7-9-13/h2-10,26H,1H3,(H,23,25,27)
InChIKeyHBMJVRBZCXJTIB-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.02
Rot. Bonds2

About 1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione

1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 4299198) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
PubChem CID4299198
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCC1=Nc2ccccc2C1=Cc1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H14FN3O3/c1-11-15(14-4-2-3-5-17(14)22-11)10-16-18(25)23-20(27)24(19(16)26)13-8-6-12(21)7-9-13/h2-10,26H,1H3,(H,23,25,27)
InChIKeyHBMJVRBZCXJTIB-UHFFFAOYSA-N
XLogP3.02
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 659624
(5Z)-3-(4-fluorophenyl)-5-[(heptylamino)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3818248
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(2-phenylphenyl)pyrimidine-2,4-dione
CID 136152923
(5E)-5-[1-(2,3-dihydro-1H-inden-5-ylamino)ethylidene]-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
CID 1409762
(5E)-5-(1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}ethylidene)-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
CID 3800323
(5E)-1-(3-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135458290
5-[(3-Methylanilino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 582523
5-(1H-indol-3-ylmethylene)-1-(2-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 135403101
1-methyl-5-[(2-methyl-1H-indol-3-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 135656248
(5E)-1-benzyl-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135452102

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione (CID 4299198) is 1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione is CC1=Nc2ccccc2C1=Cc1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is HBMJVRBZCXJTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c1-11-15(14-4-2-3-5-17(14)22-11)10-16-18(25)23-20(27)24(19(16)26)13-8-6-12(21)7-9-13/h2-10,26H,1H3,(H,23,25,27).
What are the key properties of 1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 363.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4299198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).