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

C20H22F2N4O — CID 58909858

IUPAC6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(F)(F)CC2)cc1
InChIInChI=1S/C20H22F2N4O/c1-19(2)16(26-15-17(23)24-11-25-18(15)27-19)14-5-3-12(4-6-14)13-7-9-20(21,22)10-8-13/h3-6,11,13H,7-10H2,1-2H3,(H2,23,24,25)
InChIKeyMVRINMAZQHQIFS-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.64
Rot. Bonds2

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

6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909858) has the molecular formula C20H22F2N4O and a molecular weight of 372.42 g/mol. Its IUPAC name is 6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909858
Molecular FormulaC20H22F2N4O
Molecular Weight372.42 g/mol
Exact Mass372.18
IUPAC Name6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(F)(F)CC2)cc1
InChIInChI=1S/C20H22F2N4O/c1-19(2)16(26-15-17(23)24-11-25-18(15)27-19)14-5-3-12(4-6-14)13-7-9-20(21,22)10-8-13/h3-6,11,13H,7-10H2,1-2H3,(H2,23,24,25)
InChIKeyMVRINMAZQHQIFS-UHFFFAOYSA-N
XLogP4.64
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909858) is 6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine is CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(F)(F)CC2)cc1.
What is the InChIKey of 6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is MVRINMAZQHQIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O/c1-19(2)16(26-15-17(23)24-11-25-18(15)27-19)14-5-3-12(4-6-14)13-7-9-20(21,22)10-8-13/h3-6,11,13H,7-10H2,1-2H3,(H2,23,24,25).
What are the key properties of 6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 372.42 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,4-difluorocyclohexyl)phenyl]-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).