2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one

C15H13N5O3 — CID 126781621

IUPAC2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one
SMILESCc1noc2ncnc(Nc3ccc4c(c3)NC(=O)C(C)O4)c12
InChIInChI=1S/C15H13N5O3/c1-7-12-13(16-6-17-15(12)23-20-7)18-9-3-4-11-10(5-9)19-14(21)8(2)22-11/h3-6,8H,1-2H3,(H,19,21)(H,16,17,18)
InChIKeyMRSQYGBIONPNNV-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.39
Rot. Bonds2

About 2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one

2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one (PubChem CID 126781621) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one
PubChem CID126781621
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one
SMILESCc1noc2ncnc(Nc3ccc4c(c3)NC(=O)C(C)O4)c12
InChIInChI=1S/C15H13N5O3/c1-7-12-13(16-6-17-15(12)23-20-7)18-9-3-4-11-10(5-9)19-14(21)8(2)22-11/h3-6,8H,1-2H3,(H,19,21)(H,16,17,18)
InChIKeyMRSQYGBIONPNNV-UHFFFAOYSA-N
XLogP2.39
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one (CID 126781621) is 2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one is Cc1noc2ncnc(Nc3ccc4c(c3)NC(=O)C(C)O4)c12.
What is the InChIKey of 2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one?
The InChIKey is MRSQYGBIONPNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-7-12-13(16-6-17-15(12)23-20-7)18-9-3-4-11-10(5-9)19-14(21)8(2)22-11/h3-6,8H,1-2H3,(H,19,21)(H,16,17,18).
What are the key properties of 2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one?
2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one has a molecular weight of 311.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 126781621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).