5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine

C18H25N3O3 — CID 147984735

IUPAC5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine
SMILESCOc1cc(C(C)C)c(Oc2cnc(C)nc2N)cc1C(C)OC
InChIInChI=1S/C18H25N3O3/c1-10(2)13-7-15(23-6)14(11(3)22-5)8-16(13)24-17-9-20-12(4)21-18(17)19/h7-11H,1-6H3,(H2,19,20,21)
InChIKeyITXMAKUZISSPND-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.00
Rot. Bonds6

About 5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine

5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine (PubChem CID 147984735) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine
PubChem CID147984735
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine
SMILESCOc1cc(C(C)C)c(Oc2cnc(C)nc2N)cc1C(C)OC
InChIInChI=1S/C18H25N3O3/c1-10(2)13-7-15(23-6)14(11(3)22-5)8-16(13)24-17-9-20-12(4)21-18(17)19/h7-11H,1-6H3,(H2,19,20,21)
InChIKeyITXMAKUZISSPND-UHFFFAOYSA-N
XLogP4.00
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine (CID 147984735) is 5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine is COc1cc(C(C)C)c(Oc2cnc(C)nc2N)cc1C(C)OC.
What is the InChIKey of 5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine?
The InChIKey is ITXMAKUZISSPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-10(2)13-7-15(23-6)14(11(3)22-5)8-16(13)24-17-9-20-12(4)21-18(17)19/h7-11H,1-6H3,(H2,19,20,21).
What are the key properties of 5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine?
5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine has a molecular weight of 331.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 147984735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).