2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C19H23N5O — CID 71899063

IUPAC2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCCOc1ccccc1N1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C19H23N5O/c1-2-25-18-7-4-3-6-17(18)23-12-10-22(11-13-23)14-16-15-24-9-5-8-20-19(24)21-16/h3-9,15H,2,10-14H2,1H3
InChIKeyAXQVEFQKMYSSFK-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.45
Rot. Bonds5

About 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 71899063) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID71899063
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCCOc1ccccc1N1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C19H23N5O/c1-2-25-18-7-4-3-6-17(18)23-12-10-22(11-13-23)14-16-15-24-9-5-8-20-19(24)21-16/h3-9,15H,2,10-14H2,1H3
InChIKeyAXQVEFQKMYSSFK-UHFFFAOYSA-N
XLogP2.45
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 23962454
2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 43162352
2-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 11634096
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
CID 60966758
4-[[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809646
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
CID 103897986
1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71678171
1-(2-ethoxyphenyl)-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
CID 1376192
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3-dimethylpiperidin-4-amine
CID 120967338
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 71899063) is 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is CCOc1ccccc1N1CCN(Cc2cn3cccnc3n2)CC1.
What is the InChIKey of 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is AXQVEFQKMYSSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-25-18-7-4-3-6-17(18)23-12-10-22(11-13-23)14-16-15-24-9-5-8-20-19(24)21-16/h3-9,15H,2,10-14H2,1H3.
What are the key properties of 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 337.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 71899063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).