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

C9H10ClN5O2 — CID 114582536

IUPAC5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
SMILESCCc1nnc(Cn2cnc(Cl)c(N)c2=O)o1
InChIInChI=1S/C9H10ClN5O2/c1-2-5-13-14-6(17-5)3-15-4-12-8(10)7(11)9(15)16/h4H,2-3,11H2,1H3
InChIKeyGCNABAJFCXNWDT-UHFFFAOYSA-N
MW255.66 g/mol
LogP0.47
Rot. Bonds3

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

5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one (PubChem CID 114582536) has the molecular formula C9H10ClN5O2 and a molecular weight of 255.66 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
PubChem CID114582536
Molecular FormulaC9H10ClN5O2
Molecular Weight255.66 g/mol
Exact Mass255.05
IUPAC Name5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
SMILESCCc1nnc(Cn2cnc(Cl)c(N)c2=O)o1
InChIInChI=1S/C9H10ClN5O2/c1-2-5-13-14-6(17-5)3-15-4-12-8(10)7(11)9(15)16/h4H,2-3,11H2,1H3
InChIKeyGCNABAJFCXNWDT-UHFFFAOYSA-N
XLogP0.47
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
CID 114582544
5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 114582854
5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one
CID 114582826
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-iodopyrimidin-4-one
CID 66309919
5-amino-6-chloro-3-dodecylpyrimidin-4-one
CID 114582630
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
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 114582727
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
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79530372
4-[(5-amino-4-chloro-6-oxopyrimidin-1-yl)methyl]-3-methylbenzonitrile
CID 114582875

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one (CID 114582536) is 5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one is CCc1nnc(Cn2cnc(Cl)c(N)c2=O)o1.
What is the InChIKey of 5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one?
The InChIKey is GCNABAJFCXNWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2/c1-2-5-13-14-6(17-5)3-15-4-12-8(10)7(11)9(15)16/h4H,2-3,11H2,1H3.
What are the key properties of 5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one?
5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one has a molecular weight of 255.66 g/mol, XLogP of 0.47, 3 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-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114582536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).