6-anilino-3-methyl-1H-pyrimidine-2,4-dione

C11H11N3O2 — CID 777246

IUPAC6-anilino-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-14-10(15)7-9(13-11(14)16)12-8-5-3-2-4-6-8/h2-7,12H,1H3,(H,13,16)
InChIKeySSNRJYADPZFASQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.82
Rot. Bonds2

About 6-anilino-3-methyl-1H-pyrimidine-2,4-dione

6-anilino-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 777246) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-anilino-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-anilino-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID777246
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6-anilino-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C11H11N3O2/c1-14-10(15)7-9(13-11(14)16)12-8-5-3-2-4-6-8/h2-7,12H,1H3,(H,13,16)
InChIKeySSNRJYADPZFASQ-UHFFFAOYSA-N
XLogP0.82
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7595
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CID 7560
N-Methyl-N',N'-diphenylurea
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CID 29852
1-Methyl-3-phenylurea
CID 13880
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1,3-Dimethyl-1,3-diphenylurea
CID 11917
N-phenylpyrrolidine-1-carboxamide
CID 791811
1-Ethyl-1,3-diphenylurea
CID 98685
N-Cyclohexyl-N'-(4-(dimethylamino)phenyl)urea
CID 844453
1-Phenylimidazolidine-2,4-dione
CID 570576
N-Cyclohexyl-N'-phenylurea
CID 13451

Frequently Asked Questions

What is the IUPAC name of 6-anilino-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-anilino-3-methyl-1H-pyrimidine-2,4-dione (CID 777246) is 6-anilino-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-anilino-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-anilino-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(Nc2ccccc2)[nH]c1=O.
What is the InChIKey of 6-anilino-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is SSNRJYADPZFASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-10(15)7-9(13-11(14)16)12-8-5-3-2-4-6-8/h2-7,12H,1H3,(H,13,16).
What are the key properties of 6-anilino-3-methyl-1H-pyrimidine-2,4-dione?
6-anilino-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 217.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 777246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).