2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine

C15H19N3O2 — CID 80654778

IUPAC2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine
SMILESCOCCc1ccc(OCc2nc(C)cc(N)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-11-9-14(16)18-15(17-11)10-20-13-5-3-12(4-6-13)7-8-19-2/h3-6,9H,7-8,10H2,1-2H3,(H2,16,17,18)
InChIKeyZJACNXJKTJXSGB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.14
Rot. Bonds6

About 2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine

2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine (PubChem CID 80654778) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine
PubChem CID80654778
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine
SMILESCOCCc1ccc(OCc2nc(C)cc(N)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-11-9-14(16)18-15(17-11)10-20-13-5-3-12(4-6-13)7-8-19-2/h3-6,9H,7-8,10H2,1-2H3,(H2,16,17,18)
InChIKeyZJACNXJKTJXSGB-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80663620
5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridin-2-amine
CID 62194855
2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80655014
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 82716054
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
[6-methyl-2-[(4-propylphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656739
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80503642
3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline
CID 115980186
6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine
CID 80503710
3-bromo-4-[[4-(2-methoxyethyl)phenoxy]methyl]aniline
CID 60790726

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine (CID 80654778) is 2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine is COCCc1ccc(OCc2nc(C)cc(N)n2)cc1.
What is the InChIKey of 2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is ZJACNXJKTJXSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-9-14(16)18-15(17-11)10-20-13-5-3-12(4-6-13)7-8-19-2/h3-6,9H,7-8,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine?
2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80654778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).