5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one

C11H12ClN3OS — CID 114582544

IUPAC5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
SMILESCCc1ccc(Cn2cnc(Cl)c(N)c2=O)s1
InChIInChI=1S/C11H12ClN3OS/c1-2-7-3-4-8(17-7)5-15-6-14-10(12)9(13)11(15)16/h3-4,6H,2,5,13H2,1H3
InChIKeyDFSGKCATJBACPB-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.15
Rot. Bonds3

About 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one

5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one (PubChem CID 114582544) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
PubChem CID114582544
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
SMILESCCc1ccc(Cn2cnc(Cl)c(N)c2=O)s1
InChIInChI=1S/C11H12ClN3OS/c1-2-7-3-4-8(17-7)5-15-6-14-10(12)9(13)11(15)16/h3-4,6H,2,5,13H2,1H3
InChIKeyDFSGKCATJBACPB-UHFFFAOYSA-N
XLogP2.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[(5-ethylthiophen-2-yl)methyl]-5-iodopyrimidin-4-one
CID 114583825
5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
CID 114582536
5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one
CID 114582826
5-amino-3-[(4-bromophenyl)methyl]-6-chloropyrimidin-4-one
CID 114582782
5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 114582854
5-amino-6-chloro-3-dodecylpyrimidin-4-one
CID 114582630
5-amino-6-chloro-3-[(2-chloro-4-fluorophenyl)methyl]pyrimidin-4-one
CID 114582636
5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
CID 114012811
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 114582727
4-[(5-amino-4-chloro-6-oxopyrimidin-1-yl)methyl]-3-methylbenzonitrile
CID 114582875
5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole
CID 106005568
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-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one (CID 114582544) is 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one is CCc1ccc(Cn2cnc(Cl)c(N)c2=O)s1.
What is the InChIKey of 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one?
The InChIKey is DFSGKCATJBACPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-2-7-3-4-8(17-7)5-15-6-14-10(12)9(13)11(15)16/h3-4,6H,2,5,13H2,1H3.
What are the key properties of 5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one?
5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one has a molecular weight of 269.76 g/mol, XLogP of 2.15, 3 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-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114582544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).