6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine

C17H25N5 — CID 112870268

IUPAC6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCCN(C)C)nc(C)n1
InChIInChI=1S/C17H25N5/c1-5-22(15-9-7-6-8-10-15)17-13-16(19-14(2)20-17)18-11-12-21(3)4/h6-10,13H,5,11-12H2,1-4H3,(H,18,19,20)
InChIKeyQKZSLCFQMCSXBE-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.92
Rot. Bonds7

About 6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine

6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112870268) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112870268
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCCN(C)C)nc(C)n1
InChIInChI=1S/C17H25N5/c1-5-22(15-9-7-6-8-10-15)17-13-16(19-14(2)20-17)18-11-12-21(3)4/h6-10,13H,5,11-12H2,1-4H3,(H,18,19,20)
InChIKeyQKZSLCFQMCSXBE-UHFFFAOYSA-N
XLogP2.92
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine (CID 112870268) is 6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine is CCN(c1ccccc1)c1cc(NCCN(C)C)nc(C)n1.
What is the InChIKey of 6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is QKZSLCFQMCSXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-5-22(15-9-7-6-8-10-15)17-13-16(19-14(2)20-17)18-11-12-21(3)4/h6-10,13H,5,11-12H2,1-4H3,(H,18,19,20).
What are the key properties of 6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine?
6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 299.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112870268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).