1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol

C18H29N5O — CID 154747941

IUPAC1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCCC1CN(Cc2cn3c(C)cc(C)nc3n2)CCN1CC(C)O
InChIInChI=1S/C18H29N5O/c1-5-17-12-21(6-7-22(17)9-15(4)24)10-16-11-23-14(3)8-13(2)19-18(23)20-16/h8,11,15,17,24H,5-7,9-10,12H2,1-4H3
InChIKeyLJEYOCGNSUVLSK-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.62
Rot. Bonds5

About 1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol

1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol (PubChem CID 154747941) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
PubChem CID154747941
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCCC1CN(Cc2cn3c(C)cc(C)nc3n2)CCN1CC(C)O
InChIInChI=1S/C18H29N5O/c1-5-17-12-21(6-7-22(17)9-15(4)24)10-16-11-23-14(3)8-13(2)19-18(23)20-16/h8,11,15,17,24H,5-7,9-10,12H2,1-4H3
InChIKeyLJEYOCGNSUVLSK-UHFFFAOYSA-N
XLogP1.62
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95757591
2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 95328273
(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95766588
(3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol
CID 112734197
(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol
CID 98767333
5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 23910306
1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 71932952
2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 71878633
1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62545800
4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine
CID 23962445
(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98767261
N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95978180

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol (CID 154747941) is 1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol is CCC1CN(Cc2cn3c(C)cc(C)nc3n2)CCN1CC(C)O.
What is the InChIKey of 1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The InChIKey is LJEYOCGNSUVLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-5-17-12-21(6-7-22(17)9-15(4)24)10-16-11-23-14(3)8-13(2)19-18(23)20-16/h8,11,15,17,24H,5-7,9-10,12H2,1-4H3.
What are the key properties of 1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol has a molecular weight of 331.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 154747941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).