5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine

C16H21N3O — CID 80880121

IUPAC5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
SMILESCCCc1ccc(Oc2ncnc(NC)c2CC)cc1
InChIInChI=1S/C16H21N3O/c1-4-6-12-7-9-13(10-8-12)20-16-14(5-2)15(17-3)18-11-19-16/h7-11H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyKJWGKKNNUIACMA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.83
Rot. Bonds6

About 5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine

5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine (PubChem CID 80880121) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
PubChem CID80880121
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
SMILESCCCc1ccc(Oc2ncnc(NC)c2CC)cc1
InChIInChI=1S/C16H21N3O/c1-4-6-12-7-9-13(10-8-12)20-16-14(5-2)15(17-3)18-11-19-16/h7-11H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyKJWGKKNNUIACMA-UHFFFAOYSA-N
XLogP3.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80881783
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
5-ethyl-6-[(4-methoxyphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 80867429
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710356
N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80878962
6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80845675
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80876118
5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879508

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine (CID 80880121) is 5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine is CCCc1ccc(Oc2ncnc(NC)c2CC)cc1.
What is the InChIKey of 5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine?
The InChIKey is KJWGKKNNUIACMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-6-12-7-9-13(10-8-12)20-16-14(5-2)15(17-3)18-11-19-16/h7-11H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of 5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine?
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80880121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).