5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one

C10H17N3O3 — CID 114586384

IUPAC5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCCNC(C)C)nc[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-7(2)11-4-5-16-10-8(15-3)9(14)12-6-13-10/h6-7,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyZQPOTGLLTORNGK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.16
Rot. Bonds6

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

5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586384) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586384
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCCNC(C)C)nc[nH]c1=O
InChIInChI=1S/C10H17N3O3/c1-7(2)11-4-5-16-10-8(15-3)9(14)12-6-13-10/h6-7,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyZQPOTGLLTORNGK-UHFFFAOYSA-N
XLogP0.16
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
ethane;5-propoxy-1H-pyrimidin-6-one
CID 172330002
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 102741498
5-methoxy-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240453
5-methoxy-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240483
4-hexoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240492
4-ethoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240575
4-(2-ethoxyethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103240585
5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240608
5-methoxy-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240664
5-methoxy-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240677

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586384) is 5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is COc1c(OCCNC(C)C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is ZQPOTGLLTORNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(2)11-4-5-16-10-8(15-3)9(14)12-6-13-10/h6-7,11H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one?
5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 227.26 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).