5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one

C10H14Cl2N2O2 — CID 106455822

IUPAC5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
SMILESCC(C)COCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-7(2)5-16-4-3-14-6-13-9(12)8(11)10(14)15/h6-7H,3-5H2,1-2H3
InChIKeyUKHURDBWOSKHHA-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.22
Rot. Bonds5

About 5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one

5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one (PubChem CID 106455822) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
PubChem CID106455822
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
SMILESCC(C)COCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-7(2)5-16-4-3-14-6-13-9(12)8(11)10(14)15/h6-7H,3-5H2,1-2H3
InChIKeyUKHURDBWOSKHHA-UHFFFAOYSA-N
XLogP2.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dichloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114583273
6-Chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182127
5,6-Dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182134
6-Chloro-5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182140
5,6-Dichloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411727
6-Chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455818
6-Chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455819
5,6-Dichloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455823
5-Bromo-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455824
6-Chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455826
6-Chloro-5-iodo-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455827
6-Chloro-5-methoxy-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455834

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one (CID 106455822) is 5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one is CC(C)COCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The InChIKey is UKHURDBWOSKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c1-7(2)5-16-4-3-14-6-13-9(12)8(11)10(14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one has a molecular weight of 265.14 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 106455822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).