6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one

C14H19N3O2 — CID 59802741

IUPAC6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one
SMILESC=C1Oc2cnc(C(C)(C)C)nc2C(=O)N1C(C)C
InChIInChI=1S/C14H19N3O2/c1-8(2)17-9(3)19-10-7-15-13(14(4,5)6)16-11(10)12(17)18/h7-8H,3H2,1-2,4-6H3
InChIKeyQFGJWUOWSHSDRD-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.49
Rot. Bonds1

About 6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one

6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one (PubChem CID 59802741) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one
PubChem CID59802741
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one
SMILESC=C1Oc2cnc(C(C)(C)C)nc2C(=O)N1C(C)C
InChIInChI=1S/C14H19N3O2/c1-8(2)17-9(3)19-10-7-15-13(14(4,5)6)16-11(10)12(17)18/h7-8H,3H2,1-2,4-6H3
InChIKeyQFGJWUOWSHSDRD-UHFFFAOYSA-N
XLogP2.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one?
The IUPAC name of 6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one (CID 59802741) is 6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one.
What is the SMILES notation for 6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one?
The canonical SMILES for 6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one is C=C1Oc2cnc(C(C)(C)C)nc2C(=O)N1C(C)C.
What is the InChIKey of 6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one?
The InChIKey is QFGJWUOWSHSDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)17-9(3)19-10-7-15-13(14(4,5)6)16-11(10)12(17)18/h7-8H,3H2,1-2,4-6H3.
What are the key properties of 6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one?
6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one has a molecular weight of 261.32 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methylidene-3-propan-2-ylpyrimido[4,5-e][1,3]oxazin-4-one is sourced from PubChem (CID 59802741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).