1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione

C13H11N3O3 — CID 170350446

IUPAC1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione
SMILESCOc1cc(-n2ccc(=O)[nH]c2=O)cc2[nH]ccc12
InChIInChI=1S/C13H11N3O3/c1-19-11-7-8(6-10-9(11)2-4-14-10)16-5-3-12(17)15-13(16)18/h2-7,14H,1H3,(H,15,17,18)
InChIKeyCLKRWUUKRFVORU-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.02
Rot. Bonds2

About 1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione

1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione (PubChem CID 170350446) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione
PubChem CID170350446
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione
SMILESCOc1cc(-n2ccc(=O)[nH]c2=O)cc2[nH]ccc12
InChIInChI=1S/C13H11N3O3/c1-19-11-7-8(6-10-9(11)2-4-14-10)16-5-3-12(17)15-13(16)18/h2-7,14H,1H3,(H,15,17,18)
InChIKeyCLKRWUUKRFVORU-UHFFFAOYSA-N
XLogP1.02
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 121216485
4-methoxy-6-methyl-1H-indole
CID 24728816
1-[3-(furan-3-yl)-4-methoxyphenyl]pyrimidine-2,4-dione
CID 141375279
7-bromo-5-methoxy-1H-quinolin-2-one
CID 165134344
4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione
CID 22424261
1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione
CID 57493893
1-[3-tert-butyl-4-methoxy-5-[2-(sulfanylamino)ethynyl]phenyl]pyrimidine-2,4-dione
CID 90291636
1-(3-chloro-4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 62404842
1-[3-tert-butyl-4-methoxy-5-(2-phenylethenyl)phenyl]pyrimidine-2,4-dione
CID 67066424
1-[3-tert-butyl-4-methoxy-5-(1-oxo-2,3-dihydroinden-5-yl)phenyl]pyrimidine-2,4-dione
CID 25234611
1-(2-methylsulfanylpyrimidin-5-yl)pyrimidine-2,4-dione
CID 142487376
1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione
CID 73294586

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione (CID 170350446) is 1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione is COc1cc(-n2ccc(=O)[nH]c2=O)cc2[nH]ccc12.
What is the InChIKey of 1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione?
The InChIKey is CLKRWUUKRFVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-11-7-8(6-10-9(11)2-4-14-10)16-5-3-12(17)15-13(16)18/h2-7,14H,1H3,(H,15,17,18).
What are the key properties of 1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione?
1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1H-indol-6-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 170350446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).