4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine

C18H24N4O2 — CID 24716942

IUPAC4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine
SMILESCOCCN1CCN(c2cc(Oc3ccccc3C)ncn2)CC1
InChIInChI=1S/C18H24N4O2/c1-15-5-3-4-6-16(15)24-18-13-17(19-14-20-18)22-9-7-21(8-10-22)11-12-23-2/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHNWVVQIMKFQVGK-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.35
Rot. Bonds6

About 4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine

4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine (PubChem CID 24716942) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine
PubChem CID24716942
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine
SMILESCOCCN1CCN(c2cc(Oc3ccccc3C)ncn2)CC1
InChIInChI=1S/C18H24N4O2/c1-15-5-3-4-6-16(15)24-18-13-17(19-14-20-18)22-9-7-21(8-10-22)11-12-23-2/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHNWVVQIMKFQVGK-UHFFFAOYSA-N
XLogP2.35
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine?
The IUPAC name of 4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine (CID 24716942) is 4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine?
The canonical SMILES for 4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine is COCCN1CCN(c2cc(Oc3ccccc3C)ncn2)CC1.
What is the InChIKey of 4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine?
The InChIKey is HNWVVQIMKFQVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-15-5-3-4-6-16(15)24-18-13-17(19-14-20-18)22-9-7-21(8-10-22)11-12-23-2/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine?
4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine has a molecular weight of 328.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)piperazin-1-yl]-6-(2-methylphenoxy)pyrimidine is sourced from PubChem (CID 24716942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).