6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine

C15H20N4O2 — CID 80867130

IUPAC6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2ccccc2OCC)nc(N)n1
InChIInChI=1S/C15H20N4O2/c1-3-9-17-13-10-14(19-15(16)18-13)21-12-8-6-5-7-11(12)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyXZPTXWIHPGMQKI-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.07
Rot. Bonds7

About 6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine

6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80867130) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
PubChem CID80867130
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2ccccc2OCC)nc(N)n1
InChIInChI=1S/C15H20N4O2/c1-3-9-17-13-10-14(19-15(16)18-13)21-12-8-6-5-7-11(12)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyXZPTXWIHPGMQKI-UHFFFAOYSA-N
XLogP3.07
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80874035
6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80870090
4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine
CID 80881143
6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80881844
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
CID 80861882
4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 80877500
6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine
CID 82010674
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80966037

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine (CID 80867130) is 6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(Oc2ccccc2OCC)nc(N)n1.
What is the InChIKey of 6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is XZPTXWIHPGMQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-9-17-13-10-14(19-15(16)18-13)21-12-8-6-5-7-11(12)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine?
6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80867130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).