5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one

C9H6Cl2N4O2 — CID 15650507

IUPAC5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one
SMILESO=c1ncc(Cl)cn1Cn1cc(Cl)cnc1=O
InChIInChI=1S/C9H6Cl2N4O2/c10-6-1-12-8(16)14(3-6)5-15-4-7(11)2-13-9(15)17/h1-4H,5H2
InChIKeyNWDLTGQIPFXPAU-UHFFFAOYSA-N
MW273.08 g/mol
LogP0.61
Rot. Bonds2

About 5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one

5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one (PubChem CID 15650507) has the molecular formula C9H6Cl2N4O2 and a molecular weight of 273.08 g/mol. Its IUPAC name is 5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one
PubChem CID15650507
Molecular FormulaC9H6Cl2N4O2
Molecular Weight273.08 g/mol
Exact Mass271.99
IUPAC Name5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one
SMILESO=c1ncc(Cl)cn1Cn1cc(Cl)cnc1=O
InChIInChI=1S/C9H6Cl2N4O2/c10-6-1-12-8(16)14(3-6)5-15-4-7(11)2-13-9(15)17/h1-4H,5H2
InChIKeyNWDLTGQIPFXPAU-UHFFFAOYSA-N
XLogP0.61
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one?
The IUPAC name of 5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one (CID 15650507) is 5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one is O=c1ncc(Cl)cn1Cn1cc(Cl)cnc1=O.
What is the InChIKey of 5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one?
The InChIKey is NWDLTGQIPFXPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O2/c10-6-1-12-8(16)14(3-6)5-15-4-7(11)2-13-9(15)17/h1-4H,5H2.
What are the key properties of 5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one?
5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one has a molecular weight of 273.08 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 15650507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).