3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C17H13N5O — CID 58865994

IUPAC3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2nc(-c3ccccc3)nc(Nc3ccncc3)c12
InChIInChI=1S/C17H13N5O/c1-11-14-16(19-13-7-9-18-10-8-13)20-15(21-17(14)23-22-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19,20,21)
InChIKeyPAOYQIHUQURDEK-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.73
Rot. Bonds3

About 3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 58865994) has the molecular formula C17H13N5O and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID58865994
Molecular FormulaC17H13N5O
Molecular Weight303.32 g/mol
Exact Mass303.11
IUPAC Name3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2nc(-c3ccccc3)nc(Nc3ccncc3)c12
InChIInChI=1S/C17H13N5O/c1-11-14-16(19-13-7-9-18-10-8-13)20-15(21-17(14)23-22-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19,20,21)
InChIKeyPAOYQIHUQURDEK-UHFFFAOYSA-N
XLogP3.73
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 58865994) is 3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2nc(-c3ccccc3)nc(Nc3ccncc3)c12.
What is the InChIKey of 3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PAOYQIHUQURDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-11-14-16(19-13-7-9-18-10-8-13)20-15(21-17(14)23-22-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19,20,21).
What are the key properties of 3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 303.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-N-pyridin-4-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58865994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).