4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol

C20H24N4O2 — CID 58909735

IUPAC4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(O)CC2)cc1
InChIInChI=1S/C20H24N4O2/c1-20(2)17(24-16-18(21)22-11-23-19(16)26-20)14-5-3-12(4-6-14)13-7-9-15(25)10-8-13/h3-6,11,13,15,25H,7-10H2,1-2H3,(H2,21,22,23)
InChIKeyLZROSQIXTNQBAQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.37
Rot. Bonds2

About 4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol

4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol (PubChem CID 58909735) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol
PubChem CID58909735
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(O)CC2)cc1
InChIInChI=1S/C20H24N4O2/c1-20(2)17(24-16-18(21)22-11-23-19(16)26-20)14-5-3-12(4-6-14)13-7-9-15(25)10-8-13/h3-6,11,13,15,25H,7-10H2,1-2H3,(H2,21,22,23)
InChIKeyLZROSQIXTNQBAQ-UHFFFAOYSA-N
XLogP3.37
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol (CID 58909735) is 4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol is CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(O)CC2)cc1.
What is the InChIKey of 4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol?
The InChIKey is LZROSQIXTNQBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2)17(24-16-18(21)22-11-23-19(16)26-20)14-5-3-12(4-6-14)13-7-9-15(25)10-8-13/h3-6,11,13,15,25H,7-10H2,1-2H3,(H2,21,22,23).
What are the key properties of 4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol?
4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol has a molecular weight of 352.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 58909735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).