(2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol

C20H23N5OS — CID 67257011

IUPAC(2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3[C@@H](C)CO)nc2n1
InChIInChI=1S/C20H23N5OS/c1-13-9-14(2)25-10-16(22-20(25)21-13)6-7-19-23-17(18-5-4-8-27-18)11-24(19)15(3)12-26/h4-5,8-11,15,26H,6-7,12H2,1-3H3/t15-/m0/s1
InChIKeyDTXFIPHBCPVREE-HNNXBMFYSA-N
MW381.51 g/mol
LogP3.61
Rot. Bonds6

About (2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol

(2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol (PubChem CID 67257011) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is (2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol
PubChem CID67257011
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name(2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3[C@@H](C)CO)nc2n1
InChIInChI=1S/C20H23N5OS/c1-13-9-14(2)25-10-16(22-20(25)21-13)6-7-19-23-17(18-5-4-8-27-18)11-24(19)15(3)12-26/h4-5,8-11,15,26H,6-7,12H2,1-3H3/t15-/m0/s1
InChIKeyDTXFIPHBCPVREE-HNNXBMFYSA-N
XLogP3.61
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol with MolForge

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Related Compounds

GV-58
CID 71463101
[(2S)-1-[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 44449532
[(2R)-1-[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 44449533
N,N-dimethyl-4-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449599
1-((2-(imidazo[1,2-a]pyridin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
CID 49833295
(R)-2-(9-Isopropyl-6-((5-methylthiophen-2-yl)methylamino)-9H-purin-2-ylamino)butan-1-ol
CID 71450594
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 46994291
1-Cyclopropyl-3-[[1-(4-hydroxybutyl)-4-(1,3-thiazol-2-yl)imidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 71521600
3-(Pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine
CID 122183046
2-Thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 122183059
(3S)-3-fluoro-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-7-yl)pyrrolidine-1-carboxamide
CID 137661853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol?
The IUPAC name of (2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol (CID 67257011) is (2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol is Cc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3[C@@H](C)CO)nc2n1.
What is the InChIKey of (2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol?
The InChIKey is DTXFIPHBCPVREE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-13-9-14(2)25-10-16(22-20(25)21-13)6-7-19-23-17(18-5-4-8-27-18)11-24(19)15(3)12-26/h4-5,8-11,15,26H,6-7,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol?
(2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol has a molecular weight of 381.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 67257011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).