5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one

C8H10Cl2N2O2 — CID 114582991

IUPAC5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
SMILESCOCC(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-5(3-14-2)12-4-11-7(10)6(9)8(12)13/h4-5H,3H2,1-2H3
InChIKeyMOMLTFXAWOPKHD-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.76
Rot. Bonds3

About 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one

5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one (PubChem CID 114582991) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
PubChem CID114582991
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
SMILESCOCC(C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H10Cl2N2O2/c1-5(3-14-2)12-4-11-7(10)6(9)8(12)13/h4-5H,3H2,1-2H3
InChIKeyMOMLTFXAWOPKHD-UHFFFAOYSA-N
XLogP1.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114583273
5,6-Dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114583292
6-Chloro-3-(2-methoxyethyl)-4(3h)-pyrimidinone
CID 114582282
5,6-Dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182134
6-Chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455819
5,6-Dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455822
5,6-Dichloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455823
6-Chloro-5-iodo-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455827
5,6-Dichloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137208
5,6-Dichloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
CID 113604343
5-chloro-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 113616107
6-Chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114582124

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one (CID 114582991) is 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one is COCC(C)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The InChIKey is MOMLTFXAWOPKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c1-5(3-14-2)12-4-11-7(10)6(9)8(12)13/h4-5H,3H2,1-2H3.
What are the key properties of 5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
5,6-dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one has a molecular weight of 237.09 g/mol, XLogP of 1.76, 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-(1-methoxypropan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 114582991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).