(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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Related Compounds

3-Phenylimidazolidine-2,4-dione
CID 227930
1-Phenylimidazolidine-2,4-dione
CID 570576
3-methyl-6-(methylamino)-1-phenylpyrimidine-2,4(1H,3H)-dione
CID 3549761
Uracil, 1-allyl-5-(dimethylamino)-6-methyl-3-phenyl-
CID 122560
N-(ethylcarbamoyl)-2-(N-methylanilino)acetamide
CID 2608330
Cambridge id 5356508
CID 761462
2,4(1H,3H)-Pyrimidinedione, 3-methyl-6-(methylphenylamino)-
CID 181503
5-(Diethylamino)-1-ethyl-6-methyl-3-phenyl-2,4(1H,3H)-pyrimidinedione
CID 118564
Uracil, 1,6-dimethyl-5-(dimethylamino)-3-phenyl-
CID 208319
Uracil, 5-(butylamino)-1,6-dimethyl-3-phenyl-
CID 208320
Uracil, 5-(diethylamino)-1,6-dimethyl-3-phenyl-
CID 208321
Uracil, 5-(dimethylamino)-6-methyl-1-phenyl-
CID 208323

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).