1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione

C11H12N4O4 — CID 15766335

IUPAC1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCCn2ccc(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C11H12N4O4/c16-8-2-6-14(10(18)12-8)4-1-5-15-7-3-9(17)13-11(15)19/h2-3,6-7H,1,4-5H2,(H,12,16,18)(H,13,17,19)
InChIKeyMCMWGSKKIBQHNB-UHFFFAOYSA-N
MW264.24 g/mol
LogP-1.52
Rot. Bonds4

About 1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione

1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione (PubChem CID 15766335) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
PubChem CID15766335
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCCn2ccc(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C11H12N4O4/c16-8-2-6-14(10(18)12-8)4-1-5-15-7-3-9(17)13-11(15)19/h2-3,6-7H,1,4-5H2,(H,12,16,18)(H,13,17,19)
InChIKeyMCMWGSKKIBQHNB-UHFFFAOYSA-N
XLogP-1.52
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione (CID 15766335) is 1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione is O=c1ccn(CCCn2ccc(=O)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
The InChIKey is MCMWGSKKIBQHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c16-8-2-6-14(10(18)12-8)4-1-5-15-7-3-9(17)13-11(15)19/h2-3,6-7H,1,4-5H2,(H,12,16,18)(H,13,17,19).
What are the key properties of 1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione?
1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione has a molecular weight of 264.24 g/mol, XLogP of -1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 15766335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).