5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one

C9H8ClN3O2 — CID 114582826

IUPAC5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(Cc2ccoc2)c1=O
InChIInChI=1S/C9H8ClN3O2/c10-8-7(11)9(14)13(5-12-8)3-6-1-2-15-4-6/h1-2,4-5H,3,11H2
InChIKeyDMPIWIPWEZOKJK-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.12
Rot. Bonds2

About 5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one

5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one (PubChem CID 114582826) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one
PubChem CID114582826
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(Cc2ccoc2)c1=O
InChIInChI=1S/C9H8ClN3O2/c10-8-7(11)9(14)13(5-12-8)3-6-1-2-15-4-6/h1-2,4-5H,3,11H2
InChIKeyDMPIWIPWEZOKJK-UHFFFAOYSA-N
XLogP1.12
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(furan-3-ylmethyl)-5-iodopyrimidin-4-one
CID 114584111
5-amino-3-[(4-bromophenyl)methyl]-6-chloropyrimidin-4-one
CID 114582782
5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
CID 114012811
5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
CID 114582544
5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
CID 114582536
5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 114582854
5-amino-6-chloro-3-[(2-chloro-4-fluorophenyl)methyl]pyrimidin-4-one
CID 114582636
5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one
CID 130927833
5-amino-3-[(4-bromo-2-nitrophenyl)methyl]-6-chloropyrimidin-4-one
CID 114582874
5-amino-6-chloro-3-dodecylpyrimidin-4-one
CID 114582630
4-[(5-amino-4-chloro-6-oxopyrimidin-1-yl)methyl]-3-methylbenzonitrile
CID 114582875
5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
CID 114582793

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one (CID 114582826) is 5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one is Nc1c(Cl)ncn(Cc2ccoc2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one?
The InChIKey is DMPIWIPWEZOKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-8-7(11)9(14)13(5-12-8)3-6-1-2-15-4-6/h1-2,4-5H,3,11H2.
What are the key properties of 5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one has a molecular weight of 225.64 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114582826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).