3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione

C15H20N4O4 — CID 15503115

IUPAC3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CCCCCn2ccc(=O)n(C)c2=O)c1=O
InChIInChI=1S/C15H20N4O4/c1-16-12(20)6-10-18(14(16)22)8-4-3-5-9-19-11-7-13(21)17(2)15(19)23/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyNQKIEWGMNHCGKA-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.72
Rot. Bonds6

About 3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione

3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione (PubChem CID 15503115) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione
PubChem CID15503115
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CCCCCn2ccc(=O)n(C)c2=O)c1=O
InChIInChI=1S/C15H20N4O4/c1-16-12(20)6-10-18(14(16)22)8-4-3-5-9-19-11-7-13(21)17(2)15(19)23/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyNQKIEWGMNHCGKA-UHFFFAOYSA-N
XLogP-0.72
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione (CID 15503115) is 3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione is Cn1c(=O)ccn(CCCCCn2ccc(=O)n(C)c2=O)c1=O.
What is the InChIKey of 3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione?
The InChIKey is NQKIEWGMNHCGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-16-12(20)6-10-18(14(16)22)8-4-3-5-9-19-11-7-13(21)17(2)15(19)23/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione?
3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione has a molecular weight of 320.35 g/mol, XLogP of -0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(3-methyl-2,4-dioxopyrimidin-1-yl)pentyl]pyrimidine-2,4-dione is sourced from PubChem (CID 15503115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).