2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine

C15H16N4OS — CID 95476705

IUPAC2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine
SMILESCOc1ncc(-c2nccn2[C@@H](C)Cc2ccsc2)cn1
InChIInChI=1S/C15H16N4OS/c1-11(7-12-3-6-21-10-12)19-5-4-16-14(19)13-8-17-15(20-2)18-9-13/h3-6,8-11H,7H2,1-2H3/t11-/m0/s1
InChIKeyYRPDYDMEZUFVLY-NSHDSACASA-N
MW300.39 g/mol
LogP3.21
Rot. Bonds5

About 2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine

2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine (PubChem CID 95476705) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine
PubChem CID95476705
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine
SMILESCOc1ncc(-c2nccn2[C@@H](C)Cc2ccsc2)cn1
InChIInChI=1S/C15H16N4OS/c1-11(7-12-3-6-21-10-12)19-5-4-16-14(19)13-8-17-15(20-2)18-9-13/h3-6,8-11H,7H2,1-2H3/t11-/m0/s1
InChIKeyYRPDYDMEZUFVLY-NSHDSACASA-N
XLogP3.21
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine with MolForge

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Related Compounds

2-(furan-2-yl)-1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazole
CID 95559159
2-methoxy-5-[1-(4-pyrazol-1-ylbutan-2-yl)imidazol-2-yl]pyrimidine
CID 56863217
2-ethyl-5-methyl-4-[1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole
CID 95399118
[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol
CID 66150617
3-[(2R)-1-thiophen-3-ylpropan-2-yl]pteridin-4-one
CID 39818742
2-methyl-N-[[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66146542
6-(1-methylimidazol-2-yl)-N-(1-thiophen-3-ylpropan-2-yl)pyridazin-3-amine
CID 56756516
2-methyl-6-[(2S)-2-(2-pyridin-4-ylimidazol-1-yl)propyl]pyridine
CID 95553750
4-(1-thiophen-3-ylpropan-2-yl)-1H-1,2,4-triazole-5-thione
CID 61474669
1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
CID 62938696
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanol
CID 67759146

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine?
The IUPAC name of 2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine (CID 95476705) is 2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine is COc1ncc(-c2nccn2[C@@H](C)Cc2ccsc2)cn1.
What is the InChIKey of 2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine?
The InChIKey is YRPDYDMEZUFVLY-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N4OS/c1-11(7-12-3-6-21-10-12)19-5-4-16-14(19)13-8-17-15(20-2)18-9-13/h3-6,8-11H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine?
2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine has a molecular weight of 300.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-[(2S)-1-thiophen-3-ylpropan-2-yl]imidazol-2-yl]pyrimidine is sourced from PubChem (CID 95476705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).