4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine

C16H22N4O — CID 80879562

IUPAC4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C16H22N4O/c1-5-9-17-16-18-11-12(2)15(19-16)21-14-8-6-7-13(10-14)20(3)4/h6-8,10-11H,5,9H2,1-4H3,(H,17,18,19)
InChIKeyHIEZOKUMCAXXEZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.47
Rot. Bonds6

About 4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine

4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 80879562) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
PubChem CID80879562
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C16H22N4O/c1-5-9-17-16-18-11-12(2)15(19-16)21-14-8-6-7-13(10-14)20(3)4/h6-8,10-11H,5,9H2,1-4H3,(H,17,18,19)
InChIKeyHIEZOKUMCAXXEZ-UHFFFAOYSA-N
XLogP3.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920463
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
CID 80865695
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875373
4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80874250
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
CID 80871143
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine
CID 80876421
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
4-(1-ethylpyrazol-4-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 116806089
4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80880647

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine (CID 80879562) is 4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(Oc2cccc(N(C)C)c2)n1.
What is the InChIKey of 4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is HIEZOKUMCAXXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-9-17-16-18-11-12(2)15(19-16)21-14-8-6-7-13(10-14)20(3)4/h6-8,10-11H,5,9H2,1-4H3,(H,17,18,19).
What are the key properties of 4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine?
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80879562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).