1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea

C10H10N6O5 — CID 57231334

IUPAC1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea
SMILESCc1cn(N(C(N)=O)n2ccc(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N6O5/c1-5-4-15(10(21)13-7(5)18)16(8(11)19)14-3-2-6(17)12-9(14)20/h2-4H,1H3,(H2,11,19)(H,12,17,20)(H,13,18,21)
InChIKeyJCAUAFZNLRWLPY-UHFFFAOYSA-N
MW294.23 g/mol
LogP-2.82
Rot. Bonds2

About 1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea

1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea (PubChem CID 57231334) has the molecular formula C10H10N6O5 and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea.

Molecular Properties

Compound Name1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea
PubChem CID57231334
Molecular FormulaC10H10N6O5
Molecular Weight294.23 g/mol
Exact Mass294.07
IUPAC Name1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea
SMILESCc1cn(N(C(N)=O)n2ccc(=O)[nH]c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N6O5/c1-5-4-15(10(21)13-7(5)18)16(8(11)19)14-3-2-6(17)12-9(14)20/h2-4H,1H3,(H2,11,19)(H,12,17,20)(H,13,18,21)
InChIKeyJCAUAFZNLRWLPY-UHFFFAOYSA-N
XLogP-2.82
TPSA156.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 5-2.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea?
The IUPAC name of 1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea (CID 57231334) is 1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea.
What is the SMILES notation for 1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea?
The canonical SMILES for 1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea is Cc1cn(N(C(N)=O)n2ccc(=O)[nH]c2=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea?
The InChIKey is JCAUAFZNLRWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O5/c1-5-4-15(10(21)13-7(5)18)16(8(11)19)14-3-2-6(17)12-9(14)20/h2-4H,1H3,(H2,11,19)(H,12,17,20)(H,13,18,21).
What are the key properties of 1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea?
1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea has a molecular weight of 294.23 g/mol, XLogP of -2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxopyrimidin-1-yl)-1-(5-methyl-2,4-dioxopyrimidin-1-yl)urea is sourced from PubChem (CID 57231334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).