6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C11H9ClN6O — CID 134229610

IUPAC6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ncc(Cl)cn1
InChIInChI=1S/C11H9ClN6O/c1-5-7(2-8-14-3-6(12)4-15-8)9(13)10-11(16-5)18-19-17-10/h3-4H,2,13H2,1H3
InChIKeyHNFBAQMDFISFIP-UHFFFAOYSA-N
MW276.69 g/mol
LogP1.54
Rot. Bonds2

About 6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 134229610) has the molecular formula C11H9ClN6O and a molecular weight of 276.69 g/mol. Its IUPAC name is 6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID134229610
Molecular FormulaC11H9ClN6O
Molecular Weight276.69 g/mol
Exact Mass276.05
IUPAC Name6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ncc(Cl)cn1
InChIInChI=1S/C11H9ClN6O/c1-5-7(2-8-14-3-6(12)4-15-8)9(13)10-11(16-5)18-19-17-10/h3-4H,2,13H2,1H3
InChIKeyHNFBAQMDFISFIP-UHFFFAOYSA-N
XLogP1.54
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 134229610) is 6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cc1ncc(Cl)cn1.
What is the InChIKey of 6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is HNFBAQMDFISFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O/c1-5-7(2-8-14-3-6(12)4-15-8)9(13)10-11(16-5)18-19-17-10/h3-4H,2,13H2,1H3.
What are the key properties of 6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 276.69 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloropyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 134229610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).