2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one

C14H12ClN3O2 — CID 118055054

IUPAC2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one
SMILESCC1(C)Oc2cnc(Cl)nc2N(c2ccccc2)C1=O
InChIInChI=1S/C14H12ClN3O2/c1-14(2)12(19)18(9-6-4-3-5-7-9)11-10(20-14)8-16-13(15)17-11/h3-8H,1-2H3
InChIKeyKKODSLKNZGRUPJ-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.97
Rot. Bonds1

About 2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one

2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 118055054) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID118055054
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one
SMILESCC1(C)Oc2cnc(Cl)nc2N(c2ccccc2)C1=O
InChIInChI=1S/C14H12ClN3O2/c1-14(2)12(19)18(9-6-4-3-5-7-9)11-10(20-14)8-16-13(15)17-11/h3-8H,1-2H3
InChIKeyKKODSLKNZGRUPJ-UHFFFAOYSA-N
XLogP2.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one (CID 118055054) is 2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one is CC1(C)Oc2cnc(Cl)nc2N(c2ccccc2)C1=O.
What is the InChIKey of 2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is KKODSLKNZGRUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-14(2)12(19)18(9-6-4-3-5-7-9)11-10(20-14)8-16-13(15)17-11/h3-8H,1-2H3.
What are the key properties of 2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one?
2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one has a molecular weight of 289.72 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,6-dimethyl-8-phenylpyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 118055054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).