5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione

C11H11N3O3 — CID 172688062

IUPAC5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(CO)c(Nc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H11N3O3/c15-6-8-9(10(16)14-11(17)13-8)12-7-4-2-1-3-5-7/h1-5,12,15H,6H2,(H2,13,14,16,17)
InChIKeyBHNNEKKXDTWNNQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.30
Rot. Bonds3

About 5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione

5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 172688062) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID172688062
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(CO)c(Nc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H11N3O3/c15-6-8-9(10(16)14-11(17)13-8)12-7-4-2-1-3-5-7/h1-5,12,15H,6H2,(H2,13,14,16,17)
InChIKeyBHNNEKKXDTWNNQ-UHFFFAOYSA-N
XLogP0.30
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoroanilino)-2-oxo-1H-quinoline-4-carboxylic acid
CID 139572181
5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione
CID 121223589
2,6-diethyl-N-phenylaniline
CID 45095580
2,5-diamino-4-anilino-1H-pyrimidin-6-one
CID 135850742
6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135455301
4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 1380777
3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine
CID 101426182
dihydroxy(oxo)phosphanium;N-phenylaniline
CID 174642571
N-phenylaniline;sulfuric acid
CID 11486
3-anilino-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 139778461
3-anilino-4-(4-bromoanilino)cyclobut-3-ene-1,2-dione
CID 46845357
1-(1-anilinonaphthalen-2-yl)ethanone
CID 12580778

Frequently Asked Questions

What is the IUPAC name of 5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione (CID 172688062) is 5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(CO)c(Nc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is BHNNEKKXDTWNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-6-8-9(10(16)14-11(17)13-8)12-7-4-2-1-3-5-7/h1-5,12,15H,6H2,(H2,13,14,16,17).
What are the key properties of 5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 233.23 g/mol, XLogP of 0.30, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 172688062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).