4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine

C16H23N5 — CID 106761016

IUPAC4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(Nc2ccccc2N(C)C)c1C
InChIInChI=1S/C16H23N5/c1-6-17-15-11(2)16(19-12(3)18-15)20-13-9-7-8-10-14(13)21(4)5/h7-10H,6H2,1-5H3,(H2,17,18,19,20)
InChIKeyXZXIBDMMOFDZLB-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.33
Rot. Bonds5

About 4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 106761016) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID106761016
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(Nc2ccccc2N(C)C)c1C
InChIInChI=1S/C16H23N5/c1-6-17-15-11(2)16(19-12(3)18-15)20-13-9-7-8-10-14(13)21(4)5/h7-10H,6H2,1-5H3,(H2,17,18,19,20)
InChIKeyXZXIBDMMOFDZLB-UHFFFAOYSA-N
XLogP3.33
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80783110
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 107638626
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 106761086
4-N-(2,4-dimethylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80763640
6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80836692
2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 107647170
4-N-(4-chloro-2-fluorophenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80800979
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80757142
6-N-ethyl-4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761163
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80804662
5-bromo-2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]benzonitrile
CID 82697948
4-N-[1-(dimethylamino)propan-2-yl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 82949713

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (CID 106761016) is 4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(Nc2ccccc2N(C)C)c1C.
What is the InChIKey of 4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is XZXIBDMMOFDZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-6-17-15-11(2)16(19-12(3)18-15)20-13-9-7-8-10-14(13)21(4)5/h7-10H,6H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 285.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 106761016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).