3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C12H12N6O — CID 72882715

IUPAC3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cnc(CNc2ncnc3onc(C)c23)cn1
InChIInChI=1S/C12H12N6O/c1-7-3-14-9(4-13-7)5-15-11-10-8(2)18-19-12(10)17-6-16-11/h3-4,6H,5H2,1-2H3,(H,15,16,17)
InChIKeyQMPDLSMMKFLGLC-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.64
Rot. Bonds3

About 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72882715) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72882715
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cnc(CNc2ncnc3onc(C)c23)cn1
InChIInChI=1S/C12H12N6O/c1-7-3-14-9(4-13-7)5-15-11-10-8(2)18-19-12(10)17-6-16-11/h3-4,6H,5H2,1-2H3,(H,15,16,17)
InChIKeyQMPDLSMMKFLGLC-UHFFFAOYSA-N
XLogP1.64
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72882715) is 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1cnc(CNc2ncnc3onc(C)c23)cn1.
What is the InChIKey of 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QMPDLSMMKFLGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-7-3-14-9(4-13-7)5-15-11-10-8(2)18-19-12(10)17-6-16-11/h3-4,6H,5H2,1-2H3,(H,15,16,17).
What are the key properties of 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 256.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72882715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).