6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine

C11H21N5O — CID 80871216

IUPAC6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(CC)CCOc1cc(NC)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-4-16(5-2)6-7-17-10-8-9(13-3)14-11(12)15-10/h8H,4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyPUBLKZJVBXBQKW-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.82
Rot. Bonds7

About 6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine

6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80871216) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
PubChem CID80871216
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(CC)CCOc1cc(NC)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-4-16(5-2)6-7-17-10-8-9(13-3)14-11(12)15-10/h8H,4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyPUBLKZJVBXBQKW-UHFFFAOYSA-N
XLogP0.82
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
CID 46705525
2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine
CID 80963364
4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine
CID 80858428
N,N-diethyl-2-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxyethanamine
CID 80940196
6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine
CID 80878392
6-[2-(diethylamino)ethoxy]-N-ethyl-2-methylpyrimidin-4-amine
CID 80871813
6-[2-(diethylamino)ethylsulfanyl]-4-N-methylpyrimidine-2,4-diamine
CID 80890553
4-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidine-2,4-diamine
CID 80861815
6-[2-(diethylamino)ethoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80942263
4-heptoxy-6-hydrazinylpyrimidin-2-amine
CID 80909546
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864272

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine (CID 80871216) is 6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine is CCN(CC)CCOc1cc(NC)nc(N)n1.
What is the InChIKey of 6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is PUBLKZJVBXBQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-16(5-2)6-7-17-10-8-9(13-3)14-11(12)15-10/h8H,4-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine?
6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80871216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).