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

C10H17N3O3 — CID 136976940

IUPAC5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)(C)OC)nc[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-10(2,16-4)5-11-8-7(15-3)9(14)13-6-12-8/h6H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyVQDXJVCYYTTZDG-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.62
Rot. Bonds5

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

5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136976940) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136976940
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)(C)OC)nc[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-10(2,16-4)5-11-8-7(15-3)9(14)13-6-12-8/h6H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyVQDXJVCYYTTZDG-UHFFFAOYSA-N
XLogP0.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
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
N-[1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 136975775
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256
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-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426
5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136974402
tert-butyl N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]carbamate
CID 136977510
4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137011790

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136976940) is 5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is COc1c(NCC(C)(C)OC)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is VQDXJVCYYTTZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,16-4)5-11-8-7(15-3)9(14)13-6-12-8/h6H,5H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).