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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-Di(propan-2-yl)pyrimido[4,5-e][1,3]oxazine-2,4-dione
CID 58748023
3,6-Dimethyl-2-methylidenepyrimido[4,5-e][1,3]oxazin-4-one
CID 60079355
Pyrimido[4,5-e][1,3]oxazin-4-one
CID 66841268
3,6-Dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione
CID 67558249
5-Methoxy-2-methylpyrimidine-4-carboxamide
CID 69619755
(5-Methoxypyrimidin-4-yl)-piperazin-1-ylmethanone
CID 83890560
2,5-Dimethoxypyrimidine-4-carboxamide
CID 91212233
2-amino-N-ethyl-5-methoxypyrimidine-4-carboxamide
CID 130226789
N,5-dimethoxy-N,2-dimethylpyrimidine-4-carboxamide
CID 138504984
5-methoxy-N,2-dimethylpyrimidine-4-carboxamide
CID 138517122
3,6-Dimethylpyrimido[4,5-e][1,3]oxazine-2,4-dione;ethane
CID 145471870
3-Butan-2-yl-6-methylpyrimido[4,5-e][1,3]oxazine-2,4-dione
CID 145471958

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).