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

C15H19N3O2 — CID 107542475

IUPAC[6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine
SMILESCCCOc1ccccc1Oc1nc(C)cc(CN)n1
InChIInChI=1S/C15H19N3O2/c1-3-8-19-13-6-4-5-7-14(13)20-15-17-11(2)9-12(10-16)18-15/h4-7,9H,3,8,10,16H2,1-2H3
InChIKeyVTVYHDZRULEPDT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.82
Rot. Bonds6

About [6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine

[6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine (PubChem CID 107542475) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine
PubChem CID107542475
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine
SMILESCCCOc1ccccc1Oc1nc(C)cc(CN)n1
InChIInChI=1S/C15H19N3O2/c1-3-8-19-13-6-4-5-7-14(13)20-15-17-11(2)9-12(10-16)18-15/h4-7,9H,3,8,10,16H2,1-2H3
InChIKeyVTVYHDZRULEPDT-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

[2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine
CID 113377974
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
[6-methyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methanamine
CID 107542547
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
4-methoxy-N-methyl-6-(2-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80867250
[2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine
CID 107542476
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine
CID 63077707
[6-methyl-2-[(2-propoxyphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80664443
5-methyl-2-(2-propoxyphenoxy)pyridin-4-amine
CID 83266265
2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
CID 80988350
2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine (CID 107542475) is [6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine is CCCOc1ccccc1Oc1nc(C)cc(CN)n1.
What is the InChIKey of [6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine?
The InChIKey is VTVYHDZRULEPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-8-19-13-6-4-5-7-14(13)20-15-17-11(2)9-12(10-16)18-15/h4-7,9H,3,8,10,16H2,1-2H3.
What are the key properties of [6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine?
[6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-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 [6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).