5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one

C10H14Cl2N2O2 — CID 114582884

IUPAC5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
SMILESCC(C)(C)OCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-10(2,3)16-5-4-14-6-13-8(12)7(11)9(14)15/h6H,4-5H2,1-3H3
InChIKeyCFEBACYILZSMRN-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.37
Rot. Bonds3

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

5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one (PubChem CID 114582884) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
PubChem CID114582884
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
SMILESCC(C)(C)OCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-10(2,3)16-5-4-14-6-13-8(12)7(11)9(14)15/h6H,4-5H2,1-3H3
InChIKeyCFEBACYILZSMRN-UHFFFAOYSA-N
XLogP2.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one (CID 114582884) is 5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one is CC(C)(C)OCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one?
The InChIKey is CFEBACYILZSMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c1-10(2,3)16-5-4-14-6-13-8(12)7(11)9(14)15/h6H,4-5H2,1-3H3.
What are the key properties of 5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one?
5,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one has a molecular weight of 265.14 g/mol, XLogP of 2.37, 3 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-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).