2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine

C21H24N4 — CID 112937720

IUPAC2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2ccc(C)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-4-25(5-2)21-23-19(17-9-7-6-8-10-17)15-20(24-21)22-18-13-11-16(3)12-14-18/h6-15H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyANLAHZIUGDLWQX-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.04
Rot. Bonds6

About 2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine

2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112937720) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112937720
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2ccc(C)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-4-25(5-2)21-23-19(17-9-7-6-8-10-17)15-20(24-21)22-18-13-11-16(3)12-14-18/h6-15H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyANLAHZIUGDLWQX-UHFFFAOYSA-N
XLogP5.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937737
2-N,2-N-diethyl-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 62192827
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
2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937733
2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112927331
2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 86235846
2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937847
4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004
4-[[2-[butyl(methyl)amino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112938019
2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine
CID 112932954

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine (CID 112937720) is 2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine is CCN(CC)c1nc(Nc2ccc(C)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is ANLAHZIUGDLWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-4-25(5-2)21-23-19(17-9-7-6-8-10-17)15-20(24-21)22-18-13-11-16(3)12-14-18/h6-15H,4-5H2,1-3H3,(H,22,23,24).
What are the key properties of 2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).