6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine

C16H21N3O2 — CID 80845675

IUPAC6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1OCc1ccc(OC)cc1
InChIInChI=1S/C16H21N3O2/c1-4-5-14-15(17-2)18-11-19-16(14)21-10-12-6-8-13(20-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyWQTTXRRYNBHUQZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.06
Rot. Bonds7

About 6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine

6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 80845675) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine
PubChem CID80845675
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1OCc1ccc(OC)cc1
InChIInChI=1S/C16H21N3O2/c1-4-5-14-15(17-2)18-11-19-16(14)21-10-12-6-8-13(20-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyWQTTXRRYNBHUQZ-UHFFFAOYSA-N
XLogP3.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-[(4-methoxyphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 80867429
[5-ethyl-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]hydrazine
CID 80913387
6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 82825139
[6-[(4-chlorophenyl)methoxy]-5-propylpyrimidin-4-yl]hydrazine
CID 80922462
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80881783
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
CID 80876335
N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine
CID 80858342
6-[2-(diethylamino)ethoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80871006
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine (CID 80845675) is 6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1OCc1ccc(OC)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is WQTTXRRYNBHUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-5-14-15(17-2)18-11-19-16(14)21-10-12-6-8-13(20-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine?
6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80845675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).