1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione

C21H20N4O3 — CID 163640505

IUPAC1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESCC1C=CC(Oc2ncc(N3CCC(=O)NC3=O)cn2)=CC1c1ccccc1
InChIInChI=1S/C21H20N4O3/c1-14-7-8-17(11-18(14)15-5-3-2-4-6-15)28-20-22-12-16(13-23-20)25-10-9-19(26)24-21(25)27/h2-8,11-14,18H,9-10H2,1H3,(H,24,26,27)
InChIKeyIDVKAVAYMMPBNF-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.18
Rot. Bonds4

About 1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione

1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 163640505) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione
PubChem CID163640505
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESCC1C=CC(Oc2ncc(N3CCC(=O)NC3=O)cn2)=CC1c1ccccc1
InChIInChI=1S/C21H20N4O3/c1-14-7-8-17(11-18(14)15-5-3-2-4-6-15)28-20-22-12-16(13-23-20)25-10-9-19(26)24-21(25)27/h2-8,11-14,18H,9-10H2,1H3,(H,24,26,27)
InChIKeyIDVKAVAYMMPBNF-UHFFFAOYSA-N
XLogP3.18
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione (CID 163640505) is 1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione is CC1C=CC(Oc2ncc(N3CCC(=O)NC3=O)cn2)=CC1c1ccccc1.
What is the InChIKey of 1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is IDVKAVAYMMPBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14-7-8-17(11-18(14)15-5-3-2-4-6-15)28-20-22-12-16(13-23-20)25-10-9-19(26)24-21(25)27/h2-8,11-14,18H,9-10H2,1H3,(H,24,26,27).
What are the key properties of 1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione?
1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 376.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 163640505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).