methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate

C15H17N3O3 — CID 156541192

IUPACmethyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1ccc(-c2nccc(N)n2)cc1
InChIInChI=1S/C15H17N3O3/c1-15(2,14(19)20-3)21-11-6-4-10(5-7-11)13-17-9-8-12(16)18-13/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyQJUUSWCRUHYJLW-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate

methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate (PubChem CID 156541192) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate
PubChem CID156541192
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1ccc(-c2nccc(N)n2)cc1
InChIInChI=1S/C15H17N3O3/c1-15(2,14(19)20-3)21-11-6-4-10(5-7-11)13-17-9-8-12(16)18-13/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyQJUUSWCRUHYJLW-UHFFFAOYSA-N
XLogP2.06
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202664
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
methyl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594151
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 125436967
4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide
CID 117094557
ethane;2-methyl-2-(4-methylphenoxy)propanamide
CID 145199634
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796
propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate
CID 142223299
2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid
CID 117051509
2-(4-methoxyphenoxy)-2-methylpropanoate
CID 7645712
2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 116795272

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate?
The IUPAC name of methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate (CID 156541192) is methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate?
The canonical SMILES for methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate is COC(=O)C(C)(C)Oc1ccc(-c2nccc(N)n2)cc1.
What is the InChIKey of methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate?
The InChIKey is QJUUSWCRUHYJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-15(2,14(19)20-3)21-11-6-4-10(5-7-11)13-17-9-8-12(16)18-13/h4-9H,1-3H3,(H2,16,17,18).
What are the key properties of methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate?
methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate has a molecular weight of 287.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-aminopyrimidin-2-yl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 156541192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).