5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one

C9H8Cl2N4O — CID 114582975

IUPAC5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCn1ccnc1
InChIInChI=1S/C9H8Cl2N4O/c10-7-8(11)13-6-15(9(7)16)4-3-14-2-1-12-5-14/h1-2,5-6H,3-4H2
InChIKeyRDKHCUYUYJLIGY-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.45
Rot. Bonds3

About 5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one

5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one (PubChem CID 114582975) has the molecular formula C9H8Cl2N4O and a molecular weight of 259.10 g/mol. Its IUPAC name is 5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one
PubChem CID114582975
Molecular FormulaC9H8Cl2N4O
Molecular Weight259.10 g/mol
Exact Mass258.01
IUPAC Name5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCn1ccnc1
InChIInChI=1S/C9H8Cl2N4O/c10-7-8(11)13-6-15(9(7)16)4-3-14-2-1-12-5-14/h1-2,5-6H,3-4H2
InChIKeyRDKHCUYUYJLIGY-UHFFFAOYSA-N
XLogP1.45
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
CID 114584039
3-(2-imidazol-1-ylethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66340223
3-(2-imidazol-1-ylethyl)-5-iodopyrimidin-4-one
CID 66310129
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-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-one
CID 114583074
5,6-dichloro-3-prop-2-ynylpyrimidin-4-one
CID 114583014
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114583185
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075
5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114583003
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one
CID 136974702

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one (CID 114582975) is 5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCn1ccnc1.
What is the InChIKey of 5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one?
The InChIKey is RDKHCUYUYJLIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O/c10-7-8(11)13-6-15(9(7)16)4-3-14-2-1-12-5-14/h1-2,5-6H,3-4H2.
What are the key properties of 5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one?
5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one has a molecular weight of 259.10 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2-imidazol-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).