6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine

C16H22N4O — CID 80804662

IUPAC6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(Nc2ccc(OC)cc2C)c1C
InChIInChI=1S/C16H22N4O/c1-6-17-15-11(3)16(19-12(4)18-15)20-14-8-7-13(21-5)9-10(14)2/h7-9H,6H2,1-5H3,(H2,17,18,19,20)
InChIKeyDDAOXZXTETYYOA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.59
Rot. Bonds5

About 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80804662) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80804662
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(Nc2ccc(OC)cc2C)c1C
InChIInChI=1S/C16H22N4O/c1-6-17-15-11(3)16(19-12(4)18-15)20-14-8-7-13(21-5)9-10(14)2/h7-9H,6H2,1-5H3,(H2,17,18,19,20)
InChIKeyDDAOXZXTETYYOA-UHFFFAOYSA-N
XLogP3.59
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
4-N-(2,4-dimethylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80763640
4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80825346
6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
CID 80805047
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80776127
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63272259
5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile
CID 82697948
6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80783110
4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 106761016
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 107638626
N-(2,4-dimethoxyphenyl)-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 52998677
6-methoxy-2-N-(4-methoxy-2-methylphenyl)pyridine-2,3-diamine
CID 115320740

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 80804662) is 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(Nc2ccc(OC)cc2C)c1C.
What is the InChIKey of 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is DDAOXZXTETYYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-6-17-15-11(3)16(19-12(4)18-15)20-14-8-7-13(21-5)9-10(14)2/h7-9H,6H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80804662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).