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

C10H15Cl2N3O — CID 114582970

IUPAC5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
SMILESCCN(CC)CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H15Cl2N3O/c1-3-14(4-2)5-6-15-7-13-9(12)8(11)10(15)16/h7H,3-6H2,1-2H3
InChIKeyCLZRDLSPLLATIB-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.89
Rot. Bonds5

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

5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one (PubChem CID 114582970) has the molecular formula C10H15Cl2N3O and a molecular weight of 264.16 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
PubChem CID114582970
Molecular FormulaC10H15Cl2N3O
Molecular Weight264.16 g/mol
Exact Mass263.06
IUPAC Name5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
SMILESCCN(CC)CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H15Cl2N3O/c1-3-14(4-2)5-6-15-7-13-9(12)8(11)10(15)16/h7H,3-6H2,1-2H3
InChIKeyCLZRDLSPLLATIB-UHFFFAOYSA-N
XLogP1.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583172
5,6-Dichloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114583250
5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
5,6-Dichloro-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
CID 113604318
N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 113604321
6-Chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 114582101
6-Chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one
CID 114582353
5,6-Dichloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582889
2-(4,5-Dichloro-6-oxopyrimidin-1-yl)acetonitrile
CID 114582897
5,6-Dichloro-3-pentylpyrimidin-4-one
CID 114582900
5,6-Dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582904

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one (CID 114582970) is 5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one is CCN(CC)CCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The InChIKey is CLZRDLSPLLATIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O/c1-3-14(4-2)5-6-15-7-13-9(12)8(11)10(15)16/h7H,3-6H2,1-2H3.
What are the key properties of 5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
5,6-dichloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one has a molecular weight of 264.16 g/mol, XLogP of 1.89, 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-(diethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).