5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione

C18H18N4O4 — CID 2815029

IUPAC5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2ccccc2Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C18H18N4O4/c1-11-7-21(17(25)19-15(11)23)9-13-5-3-4-6-14(13)10-22-8-12(2)16(24)20-18(22)26/h3-8H,9-10H2,1-2H3,(H,19,23,25)(H,20,24,26)
InChIKeyUJSGFWSXIZGTOY-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.10
Rot. Bonds4

About 5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione

5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 2815029) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione
PubChem CID2815029
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2ccccc2Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C18H18N4O4/c1-11-7-21(17(25)19-15(11)23)9-13-5-3-4-6-14(13)10-22-8-12(2)16(24)20-18(22)26/h3-8H,9-10H2,1-2H3,(H,19,23,25)(H,20,24,26)
InChIKeyUJSGFWSXIZGTOY-UHFFFAOYSA-N
XLogP0.10
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione (CID 2815029) is 5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione is Cc1cn(Cc2ccccc2Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is UJSGFWSXIZGTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11-7-21(17(25)19-15(11)23)9-13-5-3-4-6-14(13)10-22-8-12(2)16(24)20-18(22)26/h3-8H,9-10H2,1-2H3,(H,19,23,25)(H,20,24,26).
What are the key properties of 5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione?
5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 354.37 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2815029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).