N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine

C15H19N3O2 — CID 80876421

IUPACN-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2cccc(COC)c2)n1
InChIInChI=1S/C15H19N3O2/c1-4-16-15-17-9-11(2)14(18-15)20-13-7-5-6-12(8-13)10-19-3/h5-9H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyPBPGTTBJHPYYBV-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.16
Rot. Bonds6

About N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine

N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine (PubChem CID 80876421) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine
PubChem CID80876421
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2cccc(COC)c2)n1
InChIInChI=1S/C15H19N3O2/c1-4-16-15-17-9-11(2)14(18-15)20-13-7-5-6-12(8-13)10-19-3/h5-9H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyPBPGTTBJHPYYBV-UHFFFAOYSA-N
XLogP3.16
TPSA56.27 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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80874250
5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
CID 80880225
4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80860603
N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388463
N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881024
4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864511
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
[6-[3-(methoxymethyl)phenoxy]-5-methyl-3-pyridinyl]methanamine
CID 80633528
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
CID 80865695
N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
5-methyl-4-[3-(3-methylbut-2-enoxymethyl)phenoxy]-N-phenylpyrimidin-2-amine
CID 139565519
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine (CID 80876421) is N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(Oc2cccc(COC)c2)n1.
What is the InChIKey of N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine?
The InChIKey is PBPGTTBJHPYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-16-15-17-9-11(2)14(18-15)20-13-7-5-6-12(8-13)10-19-3/h5-9H,4,10H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine?
N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80876421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).