4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one

C11H19N3O2 — CID 136977399

IUPAC4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(CC)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O2/c1-4-8(5-2)6-12-10-9(16-3)11(15)14-7-13-10/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyXFUDLHOBDGHDIH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.63
Rot. Bonds6

About 4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one

4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136977399) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136977399
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(CC)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O2/c1-4-8(5-2)6-12-10-9(16-3)11(15)14-7-13-10/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyXFUDLHOBDGHDIH-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137008774
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136974402
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137011790
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256
5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974398

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136977399) is 4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one is CCC(CC)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is XFUDLHOBDGHDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-8(5-2)6-12-10-9(16-3)11(15)14-7-13-10/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136977399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).