5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one

C11H18ClN3O4 — CID 114582456

IUPAC5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
SMILESCOCCOCCOCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C11H18ClN3O4/c1-17-4-5-19-7-6-18-3-2-15-8-14-10(12)9(13)11(15)16/h8H,2-7,13H2,1H3
InChIKeyQVPNJHBHWZIJOZ-UHFFFAOYSA-N
MW291.74 g/mol
LogP0.16
Rot. Bonds9

About 5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one

5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one (PubChem CID 114582456) has the molecular formula C11H18ClN3O4 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
PubChem CID114582456
Molecular FormulaC11H18ClN3O4
Molecular Weight291.74 g/mol
Exact Mass291.10
IUPAC Name5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
SMILESCOCCOCCOCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C11H18ClN3O4/c1-17-4-5-19-7-6-18-3-2-15-8-14-10(12)9(13)11(15)16/h8H,2-7,13H2,1H3
InChIKeyQVPNJHBHWZIJOZ-UHFFFAOYSA-N
XLogP0.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-6-chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114582847
5-Amino-6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182131
5-Amino-6-chloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411726
5-Amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455820
5-Amino-6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455821
6-Chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
CID 113604196
5-Amino-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 113604265
5-Amino-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 114582454
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114582478
5-Amino-3-(2-butoxyethyl)-6-chloropyrimidin-4-one
CID 114582486
5-Amino-6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
CID 114582529
5-Amino-6-chloro-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one
CID 114582561

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one (CID 114582456) is 5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one is COCCOCCOCCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
The InChIKey is QVPNJHBHWZIJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O4/c1-17-4-5-19-7-6-18-3-2-15-8-14-10(12)9(13)11(15)16/h8H,2-7,13H2,1H3.
What are the key properties of 5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one?
5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one has a molecular weight of 291.74 g/mol, XLogP of 0.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).