2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C18H29N5O — CID 95328273

IUPAC2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCC[C@H]1CN(Cc2cn3c(C)cc(C)nc3n2)CCN1CCOC
InChIInChI=1S/C18H29N5O/c1-5-17-13-21(6-7-22(17)8-9-24-4)11-16-12-23-15(3)10-14(2)19-18(23)20-16/h10,12,17H,5-9,11,13H2,1-4H3/t17-/m0/s1
InChIKeyRSUMTHFKJHZWBK-KRWDZBQOSA-N
MW331.46 g/mol
LogP1.89
Rot. Bonds6

About 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 95328273) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID95328273
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCC[C@H]1CN(Cc2cn3c(C)cc(C)nc3n2)CCN1CCOC
InChIInChI=1S/C18H29N5O/c1-5-17-13-21(6-7-22(17)8-9-24-4)11-16-12-23-15(3)10-14(2)19-18(23)20-16/h10,12,17H,5-9,11,13H2,1-4H3/t17-/m0/s1
InChIKeyRSUMTHFKJHZWBK-KRWDZBQOSA-N
XLogP1.89
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 95328273) is 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is CC[C@H]1CN(Cc2cn3c(C)cc(C)nc3n2)CCN1CCOC.
What is the InChIKey of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is RSUMTHFKJHZWBK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N5O/c1-5-17-13-21(6-7-22(17)8-9-24-4)11-16-12-23-15(3)10-14(2)19-18(23)20-16/h10,12,17H,5-9,11,13H2,1-4H3/t17-/m0/s1.
What are the key properties of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 331.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 95328273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).