5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione

C13H15N3O2 — CID 28610058

IUPAC5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H15N3O2/c1-15-9-10(12(17)16(2)13(15)18)8-14-11-6-4-3-5-7-11/h3-7,9,14H,8H2,1-2H3
InChIKeyZWCBWIOMFKYFHO-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.70
Rot. Bonds3

About 5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione

5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 28610058) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID28610058
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H15N3O2/c1-15-9-10(12(17)16(2)13(15)18)8-14-11-6-4-3-5-7-11/h3-7,9,14H,8H2,1-2H3
InChIKeyZWCBWIOMFKYFHO-UHFFFAOYSA-N
XLogP0.70
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 28610058) is 5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ZWCBWIOMFKYFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-15-9-10(12(17)16(2)13(15)18)8-14-11-6-4-3-5-7-11/h3-7,9,14H,8H2,1-2H3.
What are the key properties of 5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 28610058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).