2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine

C16H21N5O2 — CID 154772463

IUPAC2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
SMILESCCOc1cccnc1N1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C16H21N5O2/c1-3-23-13-5-4-7-17-15(13)20-9-11-21(12-10-20)16-18-8-6-14(19-16)22-2/h4-8H,3,9-12H2,1-2H3
InChIKeyYAPUJEVOKPHAFW-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine

2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine (PubChem CID 154772463) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
PubChem CID154772463
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
SMILESCCOc1cccnc1N1CCN(c2nccc(OC)n2)CC1
InChIInChI=1S/C16H21N5O2/c1-3-23-13-5-4-7-17-15(13)20-9-11-21(12-10-20)16-18-8-6-14(19-16)22-2/h4-8H,3,9-12H2,1-2H3
InChIKeyYAPUJEVOKPHAFW-UHFFFAOYSA-N
XLogP1.61
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 47528578
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 146078262
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-phenylmethanethione;hydrochloride
CID 22617971
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 146125070

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine (CID 154772463) is 2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine is CCOc1cccnc1N1CCN(c2nccc(OC)n2)CC1.
What is the InChIKey of 2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine?
The InChIKey is YAPUJEVOKPHAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-23-13-5-4-7-17-15(13)20-9-11-21(12-10-20)16-18-8-6-14(19-16)22-2/h4-8H,3,9-12H2,1-2H3.
What are the key properties of 2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine?
2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine has a molecular weight of 315.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 154772463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).