[4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine

C15H19N3O2 — CID 83188697

IUPAC[4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine
SMILESCCCOc1ccc(Oc2ncc(CN)c(C)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-3-8-19-13-4-6-14(7-5-13)20-15-17-10-12(9-16)11(2)18-15/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyBCRWQWJHSQFYGU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.82
Rot. Bonds6

About [4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine

[4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine (PubChem CID 83188697) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine
PubChem CID83188697
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine
SMILESCCCOc1ccc(Oc2ncc(CN)c(C)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-3-8-19-13-4-6-14(7-5-13)20-15-17-10-12(9-16)11(2)18-15/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyBCRWQWJHSQFYGU-UHFFFAOYSA-N
XLogP2.82
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine
CID 83184425
[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine
CID 83189114
[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196037
(2-heptoxy-4-methylpyrimidin-5-yl)methanamine
CID 83188895
N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187491
[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189525
[2-(2,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188778
[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196772
(4-methyl-2-quinolin-8-yloxypyrimidin-5-yl)methanamine
CID 83188918
2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol
CID 107709771
2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83186537

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine (CID 83188697) is [4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine is CCCOc1ccc(Oc2ncc(CN)c(C)n2)cc1.
What is the InChIKey of [4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine?
The InChIKey is BCRWQWJHSQFYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-8-19-13-4-6-14(7-5-13)20-15-17-10-12(9-16)11(2)18-15/h4-7,10H,3,8-9,16H2,1-2H3.
What are the key properties of [4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine?
[4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83188697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).