5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one

C10H15ClN2O4 — CID 103179360

IUPAC5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCOCCCOCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN2O4/c1-15-3-2-4-16-5-6-17-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyLHCAEBBXTATJFI-UHFFFAOYSA-N
MW262.69 g/mol
LogP0.86
Rot. Bonds8

About 5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one

5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one (PubChem CID 103179360) has the molecular formula C10H15ClN2O4 and a molecular weight of 262.69 g/mol. Its IUPAC name is 5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
PubChem CID103179360
Molecular FormulaC10H15ClN2O4
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Name5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCOCCCOCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN2O4/c1-15-3-2-4-16-5-6-17-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyLHCAEBBXTATJFI-UHFFFAOYSA-N
XLogP0.86
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983136
5-iodo-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
CID 103179376
5-iodo-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 103404135
5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103489522
5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106448541
5-chloro-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666423
5-chloro-4-[3-(2-methoxyethoxy)propoxy]-1H-pyrimidin-6-one
CID 113812206
5-chloro-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 114675862
4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one
CID 114675889
5-chloro-4-ethoxy-1H-pyrimidin-6-one
CID 114675913
5-chloro-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 114676068
5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 114676085

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one (CID 103179360) is 5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one is COCCCOCCOc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is LHCAEBBXTATJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4/c1-15-3-2-4-16-5-6-17-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 262.69 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103179360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).