1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine

C16H22N4 — CID 22695662

IUPAC1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C16H22N4/c1-5-20(6-2)15-9-7-14(8-10-15)19-16-11-12(3)17-13(4)18-16/h7-11H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyWQKVPRJDMKOUFC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.68
Rot. Bonds5

About 1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine

1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 22695662) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID22695662
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2cc(C)nc(C)n2)cc1
InChIInChI=1S/C16H22N4/c1-5-20(6-2)15-9-7-14(8-10-15)19-16-11-12(3)17-13(4)18-16/h7-11H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyWQKVPRJDMKOUFC-UHFFFAOYSA-N
XLogP3.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80828137
4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112909556
6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877193
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912
2-N-[4-(diethylamino)phenyl]-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931751
N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876804
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
4-N-[4-(diethylamino)phenyl]-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930510
2-[[4-[4-(diethylamino)anilino]-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112931745
4-N-[4-(diethylamino)phenyl]-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920915
1-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-yl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 112873889
2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112912898

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine (CID 22695662) is 1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(Nc2cc(C)nc(C)n2)cc1.
What is the InChIKey of 1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is WQKVPRJDMKOUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-20(6-2)15-9-7-14(8-10-15)19-16-11-12(3)17-13(4)18-16/h7-11H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 22695662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).