6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine

C13H15ClN4O — CID 80870090

IUPAC6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2cccc(Cl)c2)nc(N)n1
InChIInChI=1S/C13H15ClN4O/c1-2-6-16-11-8-12(18-13(15)17-11)19-10-5-3-4-9(14)7-10/h3-5,7-8H,2,6H2,1H3,(H3,15,16,17,18)
InChIKeyHDTITWLGDCETEC-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.33
Rot. Bonds5

About 6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine

6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80870090) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
PubChem CID80870090
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Oc2cccc(Cl)c2)nc(N)n1
InChIInChI=1S/C13H15ClN4O/c1-2-6-16-11-8-12(18-13(15)17-11)19-10-5-3-4-9(14)7-10/h3-5,7-8H,2,6H2,1H3,(H3,15,16,17,18)
InChIKeyHDTITWLGDCETEC-UHFFFAOYSA-N
XLogP3.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine
CID 80881143
6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80867130
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
6-(2-propan-2-ylphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80874035
6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80881844
6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine
CID 116805934
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
CID 80861882
6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881036
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
6-(3-chlorophenoxy)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719846
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine (CID 80870090) is 6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(Oc2cccc(Cl)c2)nc(N)n1.
What is the InChIKey of 6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is HDTITWLGDCETEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-2-6-16-11-8-12(18-13(15)17-11)19-10-5-3-4-9(14)7-10/h3-5,7-8H,2,6H2,1H3,(H3,15,16,17,18).
What are the key properties of 6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine?
6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 278.74 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80870090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).