6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione

C15H19N3O2 — CID 90489823

IUPAC6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(Nc2cccc(C)c2C)[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-4-8-18-14(19)9-13(17-15(18)20)16-12-7-5-6-10(2)11(12)3/h5-7,9,16H,4,8H2,1-3H3,(H,17,20)
InChIKeyYDODPAPHLLZSSM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.31
Rot. Bonds4

About 6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione

6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione (PubChem CID 90489823) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione
PubChem CID90489823
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)cc(Nc2cccc(C)c2C)[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-4-8-18-14(19)9-13(17-15(18)20)16-12-7-5-6-10(2)11(12)3/h5-7,9,16H,4,8H2,1-3H3,(H,17,20)
InChIKeyYDODPAPHLLZSSM-UHFFFAOYSA-N
XLogP2.31
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione (CID 90489823) is 6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione is CCCn1c(=O)cc(Nc2cccc(C)c2C)[nH]c1=O.
What is the InChIKey of 6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is YDODPAPHLLZSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-8-18-14(19)9-13(17-15(18)20)16-12-7-5-6-10(2)11(12)3/h5-7,9,16H,4,8H2,1-3H3,(H,17,20).
What are the key properties of 6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione?
6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 273.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylanilino)-3-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90489823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).