2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine

C19H30N6 — CID 112912898

IUPAC2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(NCCN(C)C)n2)cc1
InChIInChI=1S/C19H30N6/c1-6-25(7-2)17-10-8-16(9-11-17)22-19-21-15(3)14-18(23-19)20-12-13-24(4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H2,20,21,22,23)
InChIKeyGQJCOBMBOXFWLQ-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.35
Rot. Bonds9

About 2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine

2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112912898) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112912898
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(NCCN(C)C)n2)cc1
InChIInChI=1S/C19H30N6/c1-6-25(7-2)17-10-8-16(9-11-17)22-19-21-15(3)14-18(23-19)20-12-13-24(4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H2,20,21,22,23)
InChIKeyGQJCOBMBOXFWLQ-UHFFFAOYSA-N
XLogP3.35
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112912839
N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112912891
2-N-[4-(diethylamino)phenyl]-4-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920616
2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919519
2-N-[4-(diethylamino)phenyl]-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931751
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112912886
1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 22695662
4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112912860
2-N,4-N-bis[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931685
4-N-[4-(diethylamino)phenyl]-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920915
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112913006
4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935835

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (CID 112912898) is 2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is CCN(CC)c1ccc(Nc2nc(C)cc(NCCN(C)C)n2)cc1.
What is the InChIKey of 2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is GQJCOBMBOXFWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-6-25(7-2)17-10-8-16(9-11-17)22-19-21-15(3)14-18(23-19)20-12-13-24(4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H2,20,21,22,23).
What are the key properties of 2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 342.49 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112912898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).