4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine

C18H24N4O3 — CID 47528578

IUPAC4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(CCOc3ccccc3OC)CC2)n1
InChIInChI=1S/C18H24N4O3/c1-23-15-5-3-4-6-16(15)25-14-13-21-9-11-22(12-10-21)18-19-8-7-17(20-18)24-2/h3-8H,9-14H2,1-2H3
InChIKeyYNHUHGQDZDUIBU-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.69
Rot. Bonds7

About 4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine

4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine (PubChem CID 47528578) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
PubChem CID47528578
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(CCOc3ccccc3OC)CC2)n1
InChIInChI=1S/C18H24N4O3/c1-23-15-5-3-4-6-16(15)25-14-13-21-9-11-22(12-10-21)18-19-8-7-17(20-18)24-2/h3-8H,9-14H2,1-2H3
InChIKeyYNHUHGQDZDUIBU-UHFFFAOYSA-N
XLogP1.69
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
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(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
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4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine
CID 91830193
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CID 18095536
2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-4-methoxypyrimidine
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[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-phenylmethanethione;hydrochloride
CID 22617971
4-methoxy-2-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]pyrimidine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine (CID 47528578) is 4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine is COc1ccnc(N2CCN(CCOc3ccccc3OC)CC2)n1.
What is the InChIKey of 4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is YNHUHGQDZDUIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-23-15-5-3-4-6-16(15)25-14-13-21-9-11-22(12-10-21)18-19-8-7-17(20-18)24-2/h3-8H,9-14H2,1-2H3.
What are the key properties of 4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine?
4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 344.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 47528578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).