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

C15H13N3O3 — CID 135656248

IUPAC6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCC1=Nc2ccccc2/C1=C/c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H13N3O3/c1-8-10(9-5-3-4-6-12(9)16-8)7-11-13(19)17-15(21)18(2)14(11)20/h3-7,20H,1-2H3,(H,17,19,21)/b10-7+
InChIKeyGGBPBUXXTCWOTO-JXMROGBWSA-N
MW283.29 g/mol
LogP1.43
Rot. Bonds1

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

6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione (PubChem CID 135656248) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
PubChem CID135656248
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
SMILESCC1=Nc2ccccc2/C1=C/c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H13N3O3/c1-8-10(9-5-3-4-6-12(9)16-8)7-11-13(19)17-15(21)18(2)14(11)20/h3-7,20H,1-2H3,(H,17,19,21)/b10-7+
InChIKeyGGBPBUXXTCWOTO-JXMROGBWSA-N
XLogP1.43
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione (CID 135656248) is 6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione is CC1=Nc2ccccc2/C1=C/c1c(O)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is GGBPBUXXTCWOTO-JXMROGBWSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-8-10(9-5-3-4-6-12(9)16-8)7-11-13(19)17-15(21)18(2)14(11)20/h3-7,20H,1-2H3,(H,17,19,21)/b10-7+.
What are the key properties of 6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione?
6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 283.29 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135656248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).