5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one

C7H10ClN3O2 — CID 114586296

IUPAC5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCNCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O2/c1-9-2-3-13-7-5(8)6(12)10-4-11-7/h4,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyZWCRHUVPMJRGTG-UHFFFAOYSA-N
MW203.63 g/mol
LogP0.02
Rot. Bonds4

About 5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one

5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586296) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586296
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCNCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O2/c1-9-2-3-13-7-5(8)6(12)10-4-11-7/h4,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyZWCRHUVPMJRGTG-UHFFFAOYSA-N
XLogP0.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-methoxy-1H-pyrimidin-6-one
CID 46705582
5-chloro-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740468
5-chloro-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 113616107
4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586297
5-iodo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586305
5-chloro-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586306
5-chloro-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586325
5-chloro-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586335
4-(2-aminoethoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586353
4-(2-aminoethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586358
4-(3-aminopropoxy)-5-chloro-1H-pyrimidin-6-one
CID 114586363
5-chloro-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586380

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586296) is 5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one is CNCCOc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is ZWCRHUVPMJRGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-9-2-3-13-7-5(8)6(12)10-4-11-7/h4,9H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 203.63 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).