4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

C20H24N6 — CID 19136839

IUPAC4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCCN(CC)c1ncnc(N(Cc2ccccc2)c2ccccn2)c1N
InChIInChI=1S/C20H24N6/c1-3-25(4-2)19-18(21)20(24-15-23-19)26(17-12-8-9-13-22-17)14-16-10-6-5-7-11-16/h5-13,15H,3-4,14,21H2,1-2H3
InChIKeyLWENEQKLTKCMBU-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.64
Rot. Bonds7

About 4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (PubChem CID 19136839) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
PubChem CID19136839
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCCN(CC)c1ncnc(N(Cc2ccccc2)c2ccccn2)c1N
InChIInChI=1S/C20H24N6/c1-3-25(4-2)19-18(21)20(24-15-23-19)26(17-12-8-9-13-22-17)14-16-10-6-5-7-11-16/h5-13,15H,3-4,14,21H2,1-2H3
InChIKeyLWENEQKLTKCMBU-UHFFFAOYSA-N
XLogP3.64
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (CID 19136839) is 4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is CCN(CC)c1ncnc(N(Cc2ccccc2)c2ccccn2)c1N.
What is the InChIKey of 4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is LWENEQKLTKCMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-3-25(4-2)19-18(21)20(24-15-23-19)26(17-12-8-9-13-22-17)14-16-10-6-5-7-11-16/h5-13,15H,3-4,14,21H2,1-2H3.
What are the key properties of 4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine has a molecular weight of 348.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).