(2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid

C11H9N3O4 — CID 57350248

IUPAC(2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid
SMILESO=C(O)N(c1ccccc1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9N3O4/c15-9-8(6-12-10(16)13-9)14(11(17)18)7-4-2-1-3-5-7/h1-6H,(H,17,18)(H2,12,13,15,16)
InChIKeyNXOSULUDYLYMNA-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.88
Rot. Bonds2

About (2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid

(2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid (PubChem CID 57350248) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is (2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid.

Molecular Properties

Compound Name(2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid
PubChem CID57350248
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name(2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid
SMILESO=C(O)N(c1ccccc1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9N3O4/c15-9-8(6-12-10(16)13-9)14(11(17)18)7-4-2-1-3-5-7/h1-6H,(H,17,18)(H2,12,13,15,16)
InChIKeyNXOSULUDYLYMNA-UHFFFAOYSA-N
XLogP0.88
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid?
The IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid (CID 57350248) is (2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid.
What is the SMILES notation for (2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid?
The canonical SMILES for (2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid is O=C(O)N(c1ccccc1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid?
The InChIKey is NXOSULUDYLYMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c15-9-8(6-12-10(16)13-9)14(11(17)18)7-4-2-1-3-5-7/h1-6H,(H,17,18)(H2,12,13,15,16).
What are the key properties of (2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid?
(2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid has a molecular weight of 247.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1H-pyrimidin-5-yl)-phenylcarbamic acid is sourced from PubChem (CID 57350248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).