5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

C16H19N5O2S — CID 95215051

IUPAC5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(N[C@H](c3nccn3C)C(C)C)c12
InChIInChI=1S/C16H19N5O2S/c1-8(2)11(14-17-5-6-21(14)4)20-13-10-9(3)12(16(22)23)24-15(10)19-7-18-13/h5-8,11H,1-4H3,(H,22,23)(H,18,19,20)/t11-/m0/s1
InChIKeyZXFCLAGSQRSRHF-NSHDSACASA-N
MW345.43 g/mol
LogP3.24
Rot. Bonds5

About 5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 95215051) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID95215051
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(N[C@H](c3nccn3C)C(C)C)c12
InChIInChI=1S/C16H19N5O2S/c1-8(2)11(14-17-5-6-21(14)4)20-13-10-9(3)12(16(22)23)24-15(10)19-7-18-13/h5-8,11H,1-4H3,(H,22,23)(H,18,19,20)/t11-/m0/s1
InChIKeyZXFCLAGSQRSRHF-NSHDSACASA-N
XLogP3.24
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 95221860
1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95872622
4-[(3-hydroxy-2-methylpropyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 65035176
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 1076131
5-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 106019702
4-(1H-imidazol-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 46983153
4-(2,3-dimethylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28855419
5-methyl-4-(3,4,5-trimethoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 22582739
[5-methyl-4-(1-thiophen-2-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 45236570
4-[2-(1-carboxyethoxy)-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 141309514
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
CID 166406040
2-[(5-methyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]pentanedioic acid
CID 82022277

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 95215051) is 5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(N[C@H](c3nccn3C)C(C)C)c12.
What is the InChIKey of 5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is ZXFCLAGSQRSRHF-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-8(2)11(14-17-5-6-21(14)4)20-13-10-9(3)12(16(22)23)24-15(10)19-7-18-13/h5-8,11H,1-4H3,(H,22,23)(H,18,19,20)/t11-/m0/s1.
What are the key properties of 5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 345.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 95215051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).