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

C11H19N3O — CID 135424354

IUPAC5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(NCC)[nH]c1=O
InChIInChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyBBXXLROWFHWFQY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.85
Rot. Bonds5

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

5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135424354) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135424354
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(NCC)[nH]c1=O
InChIInChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyBBXXLROWFHWFQY-UHFFFAOYSA-N
XLogP1.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one (CID 135424354) is 5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one is CCCCc1c(C)nc(NCC)[nH]c1=O.
What is the InChIKey of 5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BBXXLROWFHWFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one?
5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135424354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).