2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine

C15H19N3O — CID 80870307

IUPAC2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Oc2ccccc2)c1C
InChIInChI=1S/C15H19N3O/c1-4-10-16-14-11(2)15(18-12(3)17-14)19-13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyXTHHNSNRWBCBDM-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.71
Rot. Bonds5

About 2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine

2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine (PubChem CID 80870307) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
PubChem CID80870307
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Oc2ccccc2)c1C
InChIInChI=1S/C15H19N3O/c1-4-10-16-14-11(2)15(18-12(3)17-14)19-13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyXTHHNSNRWBCBDM-UHFFFAOYSA-N
XLogP3.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80881869
6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80865514
6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 82717795
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
CID 80869908
2,5-dimethyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 80845580
6-(2,5-dimethylpyrazol-3-yl)oxy-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 81346792
N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874986
6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80870359
6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80859735
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine (CID 80870307) is 2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(Oc2ccccc2)c1C.
What is the InChIKey of 2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine?
The InChIKey is XTHHNSNRWBCBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-10-16-14-11(2)15(18-12(3)17-14)19-13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,16,17,18).
What are the key properties of 2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine?
2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80870307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).