4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C15H20N4O2 — CID 56815593

IUPAC4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCOc1ccccc1OCCN(C)c1cc(C)nc(N)n1
InChIInChI=1S/C15H20N4O2/c1-11-10-14(18-15(16)17-11)19(2)8-9-21-13-7-5-4-6-12(13)20-3/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18)
InChIKeyGREXNNULSJMFFL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.89
Rot. Bonds6

About 4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine

4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 56815593) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID56815593
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCOc1ccccc1OCCN(C)c1cc(C)nc(N)n1
InChIInChI=1S/C15H20N4O2/c1-11-10-14(18-15(16)17-11)19(2)8-9-21-13-7-5-4-6-12(13)20-3/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18)
InChIKeyGREXNNULSJMFFL-UHFFFAOYSA-N
XLogP1.89
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 56815593) is 4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine is COc1ccccc1OCCN(C)c1cc(C)nc(N)n1.
What is the InChIKey of 4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is GREXNNULSJMFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-10-14(18-15(16)17-11)19(2)8-9-21-13-7-5-4-6-12(13)20-3/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 56815593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).