2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine

C14H17N3O2 — CID 80655014

IUPAC2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCCOc1cccc(OCc2nc(C)cc(N)n2)c1
InChIInChI=1S/C14H17N3O2/c1-3-18-11-5-4-6-12(8-11)19-9-14-16-10(2)7-13(15)17-14/h4-8H,3,9H2,1-2H3,(H2,15,16,17)
InChIKeyHEUQLOUGARODFC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.34
Rot. Bonds5

About 2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine

2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine (PubChem CID 80655014) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
PubChem CID80655014
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCCOc1cccc(OCc2nc(C)cc(N)n2)c1
InChIInChI=1S/C14H17N3O2/c1-3-18-11-5-4-6-12(8-11)19-9-14-16-10(2)7-13(15)17-14/h4-8H,3,9H2,1-2H3,(H2,15,16,17)
InChIKeyHEUQLOUGARODFC-UHFFFAOYSA-N
XLogP2.34
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80503642
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 82716054
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
[2-[(3-methoxyphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656141
2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine
CID 80654778
6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine
CID 80503710
4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
CID 15561342
4-(chloromethyl)-6-methyl-2-(phenoxymethyl)pyrimidine
CID 62745019
2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80654623
2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654684

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine (CID 80655014) is 2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine is CCOc1cccc(OCc2nc(C)cc(N)n2)c1.
What is the InChIKey of 2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is HEUQLOUGARODFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-18-11-5-4-6-12(8-11)19-9-14-16-10(2)7-13(15)17-14/h4-8H,3,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine?
2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80655014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).