2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride

C22H31ClN4O — CID 171667239

IUPAC2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride
SMILESCOCCc1ncc(CN2CCN(CC3(c4ccccc4)CC3)CC2)cn1.Cl
InChIInChI=1S/C22H30N4O.ClH/c1-27-14-7-21-23-15-19(16-24-21)17-25-10-12-26(13-11-25)18-22(8-9-22)20-5-3-2-4-6-20;/h2-6,15-16H,7-14,17-18H2,1H3;1H
InChIKeyCDNGYPICQDESRJ-UHFFFAOYSA-N
MW402.97 g/mol
LogP2.94
Rot. Bonds8

About 2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride

2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride (PubChem CID 171667239) has the molecular formula C22H31ClN4O and a molecular weight of 402.97 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride
PubChem CID171667239
Molecular FormulaC22H31ClN4O
Molecular Weight402.97 g/mol
Exact Mass402.22
IUPAC Name2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride
SMILESCOCCc1ncc(CN2CCN(CC3(c4ccccc4)CC3)CC2)cn1.Cl
InChIInChI=1S/C22H30N4O.ClH/c1-27-14-7-21-23-15-19(16-24-21)17-25-10-12-26(13-11-25)18-22(8-9-22)20-5-3-2-4-6-20;/h2-6,15-16H,7-14,17-18H2,1H3;1H
InChIKeyCDNGYPICQDESRJ-UHFFFAOYSA-N
XLogP2.94
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride with MolForge

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-1,4-diazepane
CID 56884854
5-[[4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-2-methylsulfanylpyrimidine
CID 46963032
(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
CID 124988726
5-(4-benzylpiperazin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133352051
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 171667242
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 46963018
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[2-(2-methoxyethyl)pyrimidin-5-yl]-N-methylmethanamine
CID 74244839
1-cyclopentyl-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperazin-2-one
CID 46981106
(3R,4R)-4-(azepan-1-yl)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-ol
CID 28956428
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
5-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-6-methyl-4-pyridinyl]pyridin-2-amine
CID 92617305
1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine
CID 59395187

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride?
The IUPAC name of 2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride (CID 171667239) is 2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride?
The canonical SMILES for 2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride is COCCc1ncc(CN2CCN(CC3(c4ccccc4)CC3)CC2)cn1.Cl.
What is the InChIKey of 2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride?
The InChIKey is CDNGYPICQDESRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O.ClH/c1-27-14-7-21-23-15-19(16-24-21)17-25-10-12-26(13-11-25)18-22(8-9-22)20-5-3-2-4-6-20;/h2-6,15-16H,7-14,17-18H2,1H3;1H.
What are the key properties of 2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride?
2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5-[[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]methyl]pyrimidine;hydrochloride is sourced from PubChem (CID 171667239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).