4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one

C11H19N3O3 — CID 136999429

IUPAC4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCOC(C)(C)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-5-17-11(2,3)6-12-9-8(16-4)10(15)14-7-13-9/h7H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyZZZVKFSZFGTROY-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.01
Rot. Bonds6

About 4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136999429) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136999429
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCOC(C)(C)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-5-17-11(2,3)6-12-9-8(16-4)10(15)14-7-13-9/h7H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyZZZVKFSZFGTROY-UHFFFAOYSA-N
XLogP1.01
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256
N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 136975775
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 137003215
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 114944716
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
6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
CID 114943689
4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137008774

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136999429) is 4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCOC(C)(C)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is ZZZVKFSZFGTROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-17-11(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-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136999429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).