4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one

C10H15ClN2O3 — CID 114675889

IUPAC4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one
SMILESCCCCOCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN2O3/c1-2-3-4-15-5-6-16-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyZLGFGBTXIFTCPM-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.62
Rot. Bonds7

About 4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one

4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one (PubChem CID 114675889) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one
PubChem CID114675889
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Name4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one
SMILESCCCCOCCOc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN2O3/c1-2-3-4-15-5-6-16-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyZLGFGBTXIFTCPM-UHFFFAOYSA-N
XLogP1.62
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one (CID 114675889) is 4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one is CCCCOCCOc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is ZLGFGBTXIFTCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3/c1-2-3-4-15-5-6-16-10-8(11)9(14)12-7-13-10/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one?
4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 246.69 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 114675889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).