1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione

C13H11N3O2 — CID 4297693

IUPAC1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2c[nH]c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C13H11N3O2/c17-12-5-6-16(13(18)15-12)8-9-7-14-11-4-2-1-3-10(9)11/h1-7,14H,8H2,(H,15,17,18)
InChIKeyGKELOQKWSFJZAC-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.07
Rot. Bonds2

About 1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione

1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione (PubChem CID 4297693) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione
PubChem CID4297693
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2c[nH]c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C13H11N3O2/c17-12-5-6-16(13(18)15-12)8-9-7-14-11-4-2-1-3-10(9)11/h1-7,14H,8H2,(H,15,17,18)
InChIKeyGKELOQKWSFJZAC-UHFFFAOYSA-N
XLogP1.07
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-ylmethyl)indole
CID 15949032
2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
CID 12504745
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063777
[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol
CID 86183911
1-[(3-amino-2-bromophenyl)methyl]pyrimidine-2,4-dione
CID 114048549
3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 86272985
[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxythiolan-2-yl]methyl 3-(1H-indol-3-yl)propanoate
CID 165408875
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
3-ethyl-1H-indole;methanamine
CID 142222050
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229
CID 87710053
CID 87710053
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 55436300

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione (CID 4297693) is 1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione is O=c1ccn(Cc2c[nH]c3ccccc23)c(=O)[nH]1.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is GKELOQKWSFJZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12-5-6-16(13(18)15-12)8-9-7-14-11-4-2-1-3-10(9)11/h1-7,14H,8H2,(H,15,17,18).
What are the key properties of 1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione?
1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 241.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4297693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).