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

C19H26N4 — CID 91779694

IUPAC2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine
SMILESCCc1nccc(CN2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C19H26N4/c1-2-19-20-10-8-18(21-19)16-23-14-12-22(13-15-23)11-9-17-6-4-3-5-7-17/h3-8,10H,2,9,11-16H2,1H3
InChIKeyRMHNZNGKWTYHAS-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.40
Rot. Bonds6

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

2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine (PubChem CID 91779694) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine
PubChem CID91779694
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine
SMILESCCc1nccc(CN2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C19H26N4/c1-2-19-20-10-8-18(21-19)16-23-14-12-22(13-15-23)11-9-17-6-4-3-5-7-17/h3-8,10H,2,9,11-16H2,1H3
InChIKeyRMHNZNGKWTYHAS-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 77084591
4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine
CID 77088933
(2S,6R)-2,6-dimethyl-4-[4-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92584644
N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine
CID 46785098
(2S,6R)-4-[(2-ethylpyrimidin-4-yl)methyl]-4-azatricyclo[5.2.2.02,6]undecane
CID 56876552
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 77090196
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
2-[2-(3-methylpiperidin-1-yl)ethyl]-4-(3-phenylpropyl)pyrimidine
CID 146383183
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine (CID 91779694) is 2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine is CCc1nccc(CN2CCN(CCc3ccccc3)CC2)n1.
What is the InChIKey of 2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine?
The InChIKey is RMHNZNGKWTYHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-19-20-10-8-18(21-19)16-23-14-12-22(13-15-23)11-9-17-6-4-3-5-7-17/h3-8,10H,2,9,11-16H2,1H3.
What are the key properties of 2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine?
2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine has a molecular weight of 310.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 91779694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).