6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one

C10H15ClN2O3 — CID 103182127

IUPAC6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O3/c1-15-4-2-5-16-6-3-13-8-12-9(11)7-10(13)14/h7-8H,2-6H2,1H3
InChIKeyVSBIOANNOCCXKC-UHFFFAOYSA-N
MW246.69 g/mol
LogP0.95
Rot. Bonds7

About 6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one

6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (PubChem CID 103182127) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is 6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
PubChem CID103182127
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Name6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
SMILESCOCCCOCCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O3/c1-15-4-2-5-16-6-3-13-8-12-9(11)7-10(13)14/h7-8H,2-6H2,1H3
InChIKeyVSBIOANNOCCXKC-UHFFFAOYSA-N
XLogP0.95
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114581981
6-Chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114582422
6-Chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114582437
2-Amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525153
6-Amino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525168
6-Chloro-3-(2-methoxyethyl)-4(3h)-pyrimidinone
CID 114582282
3-(2-Methoxyethyl)pyrimidin-4-one
CID 115679421
2,6-Dichloro-3-(3-methoxypropyl)-4(3h)-pyrimidinone
CID 118483138
2,6-Dichloro-3-(1-methoxypropyl)pyrimidin-4-one
CID 118484035
Ethyl 2-(4-chloro-6-oxopyrimidin-1-yl)acetate
CID 149762014
3-Ethyl-6-morpholin-4-ylpyrimidin-4-one
CID 174664177
3-[2-(2-Chloroethoxy)ethyl]-6-methylpyrimidin-4-one
CID 63664787

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one (CID 103182127) is 6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is COCCCOCCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
The InChIKey is VSBIOANNOCCXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3/c1-15-4-2-5-16-6-3-13-8-12-9(11)7-10(13)14/h7-8H,2-6H2,1H3.
What are the key properties of 6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one?
6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one has a molecular weight of 246.69 g/mol, XLogP of 0.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 103182127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).