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

C11H19N3O2 — CID 136768849

IUPAC4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O2/c1-5-11(2,3)6-12-9-8(16-4)10(15)14-7-13-9/h7H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyIJPMHMBUEDAQKO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.63
Rot. Bonds5

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

4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136768849) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136768849
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O2/c1-5-11(2,3)6-12-9-8(16-4)10(15)14-7-13-9/h7H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyIJPMHMBUEDAQKO-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 137003215
N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 136975775
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137008774
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
CID 136870165
5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426
4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 137004958

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136768849) is 4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one is CCC(C)(C)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is IJPMHMBUEDAQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-11(2,3)6-12-9-8(16-4)10(15)14-7-13-9/h7H,5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136768849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).