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

C20H24N4O — CID 58909823

IUPAC6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H24N4O/c1-20(2)17(24-16-18(21)22-12-23-19(16)25-20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H2,21,22,23)
InChIKeyJFAORNBEGILFPJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.40
Rot. Bonds2

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

6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909823) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909823
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H24N4O/c1-20(2)17(24-16-18(21)22-12-23-19(16)25-20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H2,21,22,23)
InChIKeyJFAORNBEGILFPJ-UHFFFAOYSA-N
XLogP4.40
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909823) is 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine is CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is JFAORNBEGILFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-20(2)17(24-16-18(21)22-12-23-19(16)25-20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H2,21,22,23).
What are the key properties of 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).