5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one

C16H21N3O2 — CID 135401486

IUPAC5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(Nc2ccc(OC)cc2)[nH]c1=O
InChIInChI=1S/C16H21N3O2/c1-4-5-6-14-11(2)17-16(19-15(14)20)18-12-7-9-13(21-3)10-8-12/h7-10H,4-6H2,1-3H3,(H2,17,18,19,20)
InChIKeyGOKWQSVCHXLJHM-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.17
Rot. Bonds6

About 5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one

5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135401486) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135401486
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(Nc2ccc(OC)cc2)[nH]c1=O
InChIInChI=1S/C16H21N3O2/c1-4-5-6-14-11(2)17-16(19-15(14)20)18-12-7-9-13(21-3)10-8-12/h7-10H,4-6H2,1-3H3,(H2,17,18,19,20)
InChIKeyGOKWQSVCHXLJHM-UHFFFAOYSA-N
XLogP3.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one (CID 135401486) is 5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one is CCCCc1c(C)nc(Nc2ccc(OC)cc2)[nH]c1=O.
What is the InChIKey of 5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GOKWQSVCHXLJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-5-6-14-11(2)17-16(19-15(14)20)18-12-7-9-13(21-3)10-8-12/h7-10H,4-6H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one?
5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 287.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(4-methoxyanilino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135401486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).