4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine

C16H21N5O — CID 171130101

IUPAC4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(CCc3ccccn3)CC2)n1
InChIInChI=1S/C16H21N5O/c1-22-15-5-8-18-16(19-15)21-12-10-20(11-13-21)9-6-14-4-2-3-7-17-14/h2-5,7-8H,6,9-13H2,1H3
InChIKeyLNWKMHYCGVZCFQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.24
Rot. Bonds5

About 4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine

4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine (PubChem CID 171130101) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
PubChem CID171130101
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(CCc3ccccn3)CC2)n1
InChIInChI=1S/C16H21N5O/c1-22-15-5-8-18-16(19-15)21-12-10-20(11-13-21)9-6-14-4-2-3-7-17-14/h2-5,7-8H,6,9-13H2,1H3
InChIKeyLNWKMHYCGVZCFQ-UHFFFAOYSA-N
XLogP1.24
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 47528578
3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 100766108
(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
4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine
CID 91830193
2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-4-methoxypyrimidine
CID 171911279
2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 154772463
4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 56556990
2-[4-(2-bromoethyl)piperazin-1-yl]-4-ethoxypyrimidine
CID 112639380
3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 24734050

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine (CID 171130101) is 4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine is COc1ccnc(N2CCN(CCc3ccccn3)CC2)n1.
What is the InChIKey of 4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
The InChIKey is LNWKMHYCGVZCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-22-15-5-8-18-16(19-15)21-12-10-20(11-13-21)9-6-14-4-2-3-7-17-14/h2-5,7-8H,6,9-13H2,1H3.
What are the key properties of 4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine has a molecular weight of 299.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171130101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).