6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine

C17H23N3O — CID 80865514

IUPAC6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Oc2cccc(C)c2C)c1C
InChIInChI=1S/C17H23N3O/c1-6-10-18-16-13(4)17(20-14(5)19-16)21-15-9-7-8-11(2)12(15)3/h7-9H,6,10H2,1-5H3,(H,18,19,20)
InChIKeyFFTXPAFPZKFYHJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.32
Rot. Bonds5

About 6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine

6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 80865514) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
PubChem CID80865514
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Oc2cccc(C)c2C)c1C
InChIInChI=1S/C17H23N3O/c1-6-10-18-16-13(4)17(20-14(5)19-16)21-15-9-7-8-11(2)12(15)3/h7-9H,6,10H2,1-5H3,(H,18,19,20)
InChIKeyFFTXPAFPZKFYHJ-UHFFFAOYSA-N
XLogP4.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80881869
4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80864481
6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80859735
N-ethyl-2,5-dimethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80882702
6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 82717795
6-(2,5-dimethylpyrazol-3-yl)oxy-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 81346792
5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine
CID 104536354
6-(2,3-dimethylphenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938683
2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 80845580
6-(cyclopropylmethoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80865799

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine (CID 80865514) is 6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(Oc2cccc(C)c2C)c1C.
What is the InChIKey of 6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is FFTXPAFPZKFYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-10-18-16-13(4)17(20-14(5)19-16)21-15-9-7-8-11(2)12(15)3/h7-9H,6,10H2,1-5H3,(H,18,19,20).
What are the key properties of 6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine?
6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80865514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).