4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine

C20H23N5 — CID 22539701

IUPAC4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
SMILESCCN(c1ccccc1)c1ncnc(N(CC)c2ccccc2)c1N
InChIInChI=1S/C20H23N5/c1-3-24(16-11-7-5-8-12-16)19-18(21)20(23-15-22-19)25(4-2)17-13-9-6-10-14-17/h5-15H,3-4,21H2,1-2H3
InChIKeyRXLKDQYVFGCDKW-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.37
Rot. Bonds6

About 4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine

4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine (PubChem CID 22539701) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
PubChem CID22539701
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
SMILESCCN(c1ccccc1)c1ncnc(N(CC)c2ccccc2)c1N
InChIInChI=1S/C20H23N5/c1-3-24(16-11-7-5-8-12-16)19-18(21)20(23-15-22-19)25(4-2)17-13-9-6-10-14-17/h5-15H,3-4,21H2,1-2H3
InChIKeyRXLKDQYVFGCDKW-UHFFFAOYSA-N
XLogP4.37
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine (CID 22539701) is 4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine is CCN(c1ccccc1)c1ncnc(N(CC)c2ccccc2)c1N.
What is the InChIKey of 4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine?
The InChIKey is RXLKDQYVFGCDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-3-24(16-11-7-5-8-12-16)19-18(21)20(23-15-22-19)25(4-2)17-13-9-6-10-14-17/h5-15H,3-4,21H2,1-2H3.
What are the key properties of 4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine?
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine has a molecular weight of 333.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).