6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine

C14H13ClN4O — CID 58909754

IUPAC6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN4O/c1-14(2)11(8-3-5-9(15)6-4-8)19-10-12(16)17-7-18-13(10)20-14/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyIRTYLBICYHVLOW-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.00
Rot. Bonds1

About 6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine

6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909754) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909754
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN4O/c1-14(2)11(8-3-5-9(15)6-4-8)19-10-12(16)17-7-18-13(10)20-14/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyIRTYLBICYHVLOW-UHFFFAOYSA-N
XLogP3.00
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909754) is 6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine is CC1(C)Oc2ncnc(N)c2N=C1c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is IRTYLBICYHVLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-14(2)11(8-3-5-9(15)6-4-8)19-10-12(16)17-7-18-13(10)20-14/h3-7H,1-2H3,(H2,16,17,18).
What are the key properties of 6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 288.74 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).