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

C8H12ClN3O3 — CID 114582578

IUPAC5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCOCCO)c1=O
InChIInChI=1S/C8H12ClN3O3/c9-7-6(10)8(14)12(5-11-7)1-3-15-4-2-13/h5,13H,1-4,10H2
InChIKeyDEKYCNVYNZJJPD-UHFFFAOYSA-N
MW233.65 g/mol
LogP-0.51
Rot. Bonds5

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

5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one (PubChem CID 114582578) has the molecular formula C8H12ClN3O3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
PubChem CID114582578
Molecular FormulaC8H12ClN3O3
Molecular Weight233.65 g/mol
Exact Mass233.06
IUPAC Name5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCOCCO)c1=O
InChIInChI=1S/C8H12ClN3O3/c9-7-6(10)8(14)12(5-11-7)1-3-15-4-2-13/h5,13H,1-4,10H2
InChIKeyDEKYCNVYNZJJPD-UHFFFAOYSA-N
XLogP-0.51
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[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-hydroxyethoxy)ethyl]pyrimidin-4-one
CID 114582141
5-Amino-6-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidin-4-one
CID 114582456
5-Amino-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one
CID 114582467
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
5-Amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114582562
5-Amino-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 114582590

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one (CID 114582578) is 5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one is Nc1c(Cl)ncn(CCOCCO)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The InChIKey is DEKYCNVYNZJJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3/c9-7-6(10)8(14)12(5-11-7)1-3-15-4-2-13/h5,13H,1-4,10H2.
What are the key properties of 5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one has a molecular weight of 233.65 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).