3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C12H10N4O — CID 20924747

IUPAC3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(Nc3ccccc3)c12
InChIInChI=1S/C12H10N4O/c1-8-10-11(13-7-14-12(10)17-16-8)15-9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15)
InChIKeyFGUSTPXYWFGMDU-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.67
Rot. Bonds2

About 3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20924747) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20924747
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(Nc3ccccc3)c12
InChIInChI=1S/C12H10N4O/c1-8-10-11(13-7-14-12(10)17-16-8)15-9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15)
InChIKeyFGUSTPXYWFGMDU-UHFFFAOYSA-N
XLogP2.67
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20924747) is 3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(Nc3ccccc3)c12.
What is the InChIKey of 3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is FGUSTPXYWFGMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-10-11(13-7-14-12(10)17-16-8)15-9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15).
What are the key properties of 3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 226.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20924747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).