6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine

C16H22N4O — CID 80874035

IUPAC6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2ccccc2C(C)C)nc(N)n1
InChIInChI=1S/C16H22N4O/c1-4-9-18-14-10-15(20-16(17)19-14)21-13-8-6-5-7-12(13)11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H3,17,18,19,20)
InChIKeyAQJZEAZPKCPLPA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.80
Rot. Bonds6

About 6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine

6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80874035) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine
PubChem CID80874035
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2ccccc2C(C)C)nc(N)n1
InChIInChI=1S/C16H22N4O/c1-4-9-18-14-10-15(20-16(17)19-14)21-13-8-6-5-7-12(13)11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H3,17,18,19,20)
InChIKeyAQJZEAZPKCPLPA-UHFFFAOYSA-N
XLogP3.80
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80867130
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 80866048
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
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-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80783031
6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine
CID 82010674
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 80877500
6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine
CID 115403081

Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine (CID 80874035) is 6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(Oc2ccccc2C(C)C)nc(N)n1.
What is the InChIKey of 6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is AQJZEAZPKCPLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-9-18-14-10-15(20-16(17)19-14)21-13-8-6-5-7-12(13)11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine?
6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80874035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).