4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine

C21H24N4 — CID 112937657

IUPAC4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-4-25(5-2)20-16-19(17-12-8-6-9-13-17)22-21(23-20)24(3)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3
InChIKeyHSTAAJXSXQMIBT-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.76
Rot. Bonds6

About 4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine

4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine (PubChem CID 112937657) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine
PubChem CID112937657
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-4-25(5-2)20-16-19(17-12-8-6-9-13-17)22-21(23-20)24(3)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3
InChIKeyHSTAAJXSXQMIBT-UHFFFAOYSA-N
XLogP4.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
5-N,5-N-diethyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958205
2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112936187
2-N-methyl-2-N,6-diphenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112937366
4-N,4-N-diethyl-6-N-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112863464
2-N,2-N-diethyl-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 62192827
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937029
N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
CID 59235716
N,N-diethyl-4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 62251410
2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937674

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine (CID 112937657) is 4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine is CCN(CC)c1cc(-c2ccccc2)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine?
The InChIKey is HSTAAJXSXQMIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-4-25(5-2)20-16-19(17-12-8-6-9-13-17)22-21(23-20)24(3)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine?
4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).