2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one

C14H16ClN3O2 — CID 135546693

IUPAC2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H16ClN3O2/c1-3-4-10-8-13(19)18-14(16-10)17-11-7-9(15)5-6-12(11)20-2/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyVNHQQKACTXOJGM-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.13
Rot. Bonds5

About 2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one

2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135546693) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135546693
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H16ClN3O2/c1-3-4-10-8-13(19)18-14(16-10)17-11-7-9(15)5-6-12(11)20-2/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyVNHQQKACTXOJGM-UHFFFAOYSA-N
XLogP3.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one (CID 135546693) is 2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is VNHQQKACTXOJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-4-10-8-13(19)18-14(16-10)17-11-7-9(15)5-6-12(11)20-2/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one?
2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 293.75 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135546693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).