5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one

C8H8ClN5O2 — CID 114582854

IUPAC5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
SMILESCc1noc(Cn2cnc(Cl)c(N)c2=O)n1
InChIInChI=1S/C8H8ClN5O2/c1-4-12-5(16-13-4)2-14-3-11-7(9)6(10)8(14)15/h3H,2,10H2,1H3
InChIKeyRRJVDVIMWAIPRP-UHFFFAOYSA-N
MW241.64 g/mol
LogP0.22
Rot. Bonds2

About 5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one

5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one (PubChem CID 114582854) has the molecular formula C8H8ClN5O2 and a molecular weight of 241.64 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
PubChem CID114582854
Molecular FormulaC8H8ClN5O2
Molecular Weight241.64 g/mol
Exact Mass241.04
IUPAC Name5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
SMILESCc1noc(Cn2cnc(Cl)c(N)c2=O)n1
InChIInChI=1S/C8H8ClN5O2/c1-4-12-5(16-13-4)2-14-3-11-7(9)6(10)8(14)15/h3H,2,10H2,1H3
InChIKeyRRJVDVIMWAIPRP-UHFFFAOYSA-N
XLogP0.22
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
CID 114582536
5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
CID 114582544
1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione
CID 18147410
8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one
CID 50743496
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-(cyclopenten-1-ylmethyl)pyrimidin-4-one
CID 130927833
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567821
2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide
CID 50830492
4-[(5-amino-4-chloro-6-oxopyrimidin-1-yl)methyl]-3-methylbenzonitrile
CID 114582875
6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 51106016
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
CID 75402578

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one (CID 114582854) is 5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one is Cc1noc(Cn2cnc(Cl)c(N)c2=O)n1.
What is the InChIKey of 5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
The InChIKey is RRJVDVIMWAIPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O2/c1-4-12-5(16-13-4)2-14-3-11-7(9)6(10)8(14)15/h3H,2,10H2,1H3.
What are the key properties of 5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one has a molecular weight of 241.64 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114582854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).