2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one

C13H13Cl2N3O — CID 135546696

IUPAC2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3O/c1-2-3-10-7-12(19)18-13(16-10)17-11-5-8(14)4-9(15)6-11/h4-7H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyUIEBZBCRCOPPCL-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.77
Rot. Bonds4

About 2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one

2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135546696) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135546696
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3O/c1-2-3-10-7-12(19)18-13(16-10)17-11-5-8(14)4-9(15)6-11/h4-7H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyUIEBZBCRCOPPCL-UHFFFAOYSA-N
XLogP3.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one (CID 135546696) is 2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is UIEBZBCRCOPPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-2-3-10-7-12(19)18-13(16-10)17-11-5-8(14)4-9(15)6-11/h4-7H,2-3H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one?
2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 298.17 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135546696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).