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

C16H18N4O — CID 58909623

IUPAC6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCCc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1
InChIInChI=1S/C16H18N4O/c1-4-10-5-7-11(8-6-10)13-16(2,3)21-15-12(20-13)14(17)18-9-19-15/h5-9H,4H2,1-3H3,(H2,17,18,19)
InChIKeyYGGGNTNHWOZQTN-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.91
Rot. Bonds2

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

6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909623) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909623
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCCc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1
InChIInChI=1S/C16H18N4O/c1-4-10-5-7-11(8-6-10)13-16(2,3)21-15-12(20-13)14(17)18-9-19-15/h5-9H,4H2,1-3H3,(H2,17,18,19)
InChIKeyYGGGNTNHWOZQTN-UHFFFAOYSA-N
XLogP2.91
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.91
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
2,5,6-Triamino-4-Benzyloxypyrimidine
CID 9816044
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909623) is 6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine is CCc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is YGGGNTNHWOZQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-10-5-7-11(8-6-10)13-16(2,3)21-15-12(20-13)14(17)18-9-19-15/h5-9H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of 6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine?
6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).