7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine

C20H18N4O — CID 58909745

IUPAC7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O/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/h3-12H,1-2H3,(H2,21,22,23)
InChIKeySICNHFFDVJZRGA-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.02
Rot. Bonds2

About 7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine

7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909745) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909745
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O/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/h3-12H,1-2H3,(H2,21,22,23)
InChIKeySICNHFFDVJZRGA-UHFFFAOYSA-N
XLogP4.02
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-(4-(4-Amino-7,7-dimethyl-7H-pyrimido(4,5-b)(1,4)oxazin-6-yl)phenyl)cyclohexyl)acetic acid
CID 9865421
(4-(4-(4-Amino-7,7-dimethyl-7H-pyrimido(4,5-b)(1,4)oxazin-6-yl)phenyl)bicyclo(2.2.2)oct-1-yl)acetic Acid
CID 16202164
2-[3-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)adamantan-1-yl]acetic acid
CID 25016166
3-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)adamantane-1-carboxylic acid
CID 25016167
2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)bicyclo[2.2.2]octan-1-yl]propanoic acid
CID 25016168
4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)bicyclo[2.2.2]octane-1-carboxylic acid
CID 25016426
{5-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]bicyclo[3.2.2]non-1-yl}acetic Acid
CID 25016425
2-[4-[4-(4-Amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid
CID 10024426
[4-[4-(4-Amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methanesulfonamide
CID 58909524
7,7-dimethyl-6-[4-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]phenyl]pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909548
2-[4-[4-(4-Amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetamide
CID 58909560
3-[4-[4-(4-Amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]propanoic acid
CID 58909599

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909745) is 7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine is CC1(C)Oc2ncnc(N)c2N=C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is SICNHFFDVJZRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/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/h3-12H,1-2H3,(H2,21,22,23).
What are the key properties of 7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-(4-phenylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).