5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one

C9H8Cl2N4O — CID 114583074

IUPAC5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
SMILESCn1ccnc1Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H8Cl2N4O/c1-14-3-2-12-6(14)4-15-5-13-8(11)7(10)9(15)16/h2-3,5H,4H2,1H3
InChIKeyJUMSIGIJHMPIOJ-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.33
Rot. Bonds2

About 5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one

5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one (PubChem CID 114583074) has the molecular formula C9H8Cl2N4O and a molecular weight of 259.10 g/mol. Its IUPAC name is 5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
PubChem CID114583074
Molecular FormulaC9H8Cl2N4O
Molecular Weight259.10 g/mol
Exact Mass258.01
IUPAC Name5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
SMILESCn1ccnc1Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H8Cl2N4O/c1-14-3-2-12-6(14)4-15-5-13-8(11)7(10)9(15)16/h2-3,5H,4H2,1H3
InChIKeyJUMSIGIJHMPIOJ-UHFFFAOYSA-N
XLogP1.33
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114585109
6-chloro-3-[(1-ethylimidazol-2-yl)methyl]-5-methoxypyrimidin-4-one
CID 114585107
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
CID 114583146
5,6-dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one
CID 114582975
5,6-dichloro-3-pent-3-ynylpyrimidin-4-one
CID 114583206
6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114582023
5,6-dichloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582920
5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
CID 114583127
5,6-dichloro-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrimidin-4-one
CID 114583038
5,6-dichloro-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one
CID 114583187

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one (CID 114583074) is 5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one is Cn1ccnc1Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one?
The InChIKey is JUMSIGIJHMPIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O/c1-14-3-2-12-6(14)4-15-5-13-8(11)7(10)9(15)16/h2-3,5H,4H2,1H3.
What are the key properties of 5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one?
5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one has a molecular weight of 259.10 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114583074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).