5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one

C11H8Cl2FN3O — CID 114012811

IUPAC5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(Cc2ccc(Cl)c(F)c2)c1=O
InChIInChI=1S/C11H8Cl2FN3O/c12-7-2-1-6(3-8(7)14)4-17-5-16-10(13)9(15)11(17)18/h1-3,5H,4,15H2
InChIKeyZLVFUDSMTINDEI-UHFFFAOYSA-N
MW288.11 g/mol
LogP2.32
Rot. Bonds2

About 5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one

5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 114012811) has the molecular formula C11H8Cl2FN3O and a molecular weight of 288.11 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID114012811
Molecular FormulaC11H8Cl2FN3O
Molecular Weight288.11 g/mol
Exact Mass287.00
IUPAC Name5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(Cc2ccc(Cl)c(F)c2)c1=O
InChIInChI=1S/C11H8Cl2FN3O/c12-7-2-1-6(3-8(7)14)4-17-5-16-10(13)9(15)11(17)18/h1-3,5H,4,15H2
InChIKeyZLVFUDSMTINDEI-UHFFFAOYSA-N
XLogP2.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-[(4-bromophenyl)methyl]-6-chloropyrimidin-4-one
CID 114582782
5-amino-6-chloro-3-[(2-chloro-4-fluorophenyl)methyl]pyrimidin-4-one
CID 114582636
7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
CID 102794573
5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one
CID 114582826
3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
CID 102794596
6-chloro-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-iodopyrimidin-4-one
CID 114584029
6-chloro-9-[(4-chloro-3-fluorophenyl)methyl]-2-iodopurine
CID 90318543
5-amino-6-chloro-3-[(5-fluoro-2-nitrophenyl)methyl]pyrimidin-4-one
CID 114582530
5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
CID 114582544
2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 107886659
[2-[[3-[(4-chloro-3-fluorophenyl)methyl]-4-oxoquinazolin-6-yl]amino]-2-oxoethyl] acetate
CID 25158963
3-[(3-chloro-4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99827301

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one (CID 114012811) is 5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one is Nc1c(Cl)ncn(Cc2ccc(Cl)c(F)c2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is ZLVFUDSMTINDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3O/c12-7-2-1-6(3-8(7)14)4-17-5-16-10(13)9(15)11(17)18/h1-3,5H,4,15H2.
What are the key properties of 5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one?
5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 288.11 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114012811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).