3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one

C11H21N3O — CID 23183243

IUPAC3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one
SMILESCCCCN1C(C)=CC(=O)NC1NCC
InChIInChI=1S/C11H21N3O/c1-4-6-7-14-9(3)8-10(15)13-11(14)12-5-2/h8,11-12H,4-7H2,1-3H3,(H,13,15)
InChIKeyYOHLFSSOSSGURE-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.02
Rot. Bonds5

About 3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one

3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one (PubChem CID 23183243) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one
PubChem CID23183243
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one
SMILESCCCCN1C(C)=CC(=O)NC1NCC
InChIInChI=1S/C11H21N3O/c1-4-6-7-14-9(3)8-10(15)13-11(14)12-5-2/h8,11-12H,4-7H2,1-3H3,(H,13,15)
InChIKeyYOHLFSSOSSGURE-UHFFFAOYSA-N
XLogP1.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one?
The IUPAC name of 3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one (CID 23183243) is 3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one is CCCCN1C(C)=CC(=O)NC1NCC.
What is the InChIKey of 3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one?
The InChIKey is YOHLFSSOSSGURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-6-7-14-9(3)8-10(15)13-11(14)12-5-2/h8,11-12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one?
3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one has a molecular weight of 211.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(ethylamino)-4-methyl-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 23183243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).