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

C17H22N4O — CID 154829857

IUPAC4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O/c1-22-16-7-9-18-17(19-16)21-13-11-20(12-14-21)10-8-15-5-3-2-4-6-15/h2-7,9H,8,10-14H2,1H3
InChIKeyJDTACQSMAXRIHR-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.85
Rot. Bonds5

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

4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine (PubChem CID 154829857) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
PubChem CID154829857
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O/c1-22-16-7-9-18-17(19-16)21-13-11-20(12-14-21)10-8-15-5-3-2-4-6-15/h2-7,9H,8,10-14H2,1H3
InChIKeyJDTACQSMAXRIHR-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 47528578
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 56556990
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800426
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
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
1-(4-methoxypyrimidin-2-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]piperidine-4-carboxamide
CID 87032452
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine (CID 154829857) is 4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine is COc1ccnc(N2CCN(CCc3ccccc3)CC2)n1.
What is the InChIKey of 4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
The InChIKey is JDTACQSMAXRIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-22-16-7-9-18-17(19-16)21-13-11-20(12-14-21)10-8-15-5-3-2-4-6-15/h2-7,9H,8,10-14H2,1H3.
What are the key properties of 4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine?
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine has a molecular weight of 298.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154829857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).