2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid

C19H21N3O2S — CID 82022213

IUPAC2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCCC(Nc1ncnc2sc(C)c(-c3ccccc3)c12)C(=O)O
InChIInChI=1S/C19H21N3O2S/c1-3-4-10-14(19(23)24)22-17-16-15(13-8-6-5-7-9-13)12(2)25-18(16)21-11-20-17/h5-9,11,14H,3-4,10H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyVDONARQFUABECL-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.72
Rot. Bonds7

About 2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid

2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 82022213) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
PubChem CID82022213
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCCC(Nc1ncnc2sc(C)c(-c3ccccc3)c12)C(=O)O
InChIInChI=1S/C19H21N3O2S/c1-3-4-10-14(19(23)24)22-17-16-15(13-8-6-5-7-9-13)12(2)25-18(16)21-11-20-17/h5-9,11,14H,3-4,10H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyVDONARQFUABECL-UHFFFAOYSA-N
XLogP4.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-4-oxobutanoic acid
CID 82022216
2-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-3-hydroxypropanoic acid
CID 82022245
(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 735300
2-[4-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 21009471
2-[(6-ethyl-5-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-yl)amino]-4-phenylbutanoic acid
CID 135340251
(2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
CID 46213032
3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 21009748
2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid
CID 82033138
2-[(4-methylphthalazin-1-yl)amino]hexanoic acid
CID 43517093
(2R)-2-[[6-ethyl-5-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetic acid
CID 155524558
propan-2-yl 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21012627
2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 43631382

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid (CID 82022213) is 2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid is CCCCC(Nc1ncnc2sc(C)c(-c3ccccc3)c12)C(=O)O.
What is the InChIKey of 2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is VDONARQFUABECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-4-10-14(19(23)24)22-17-16-15(13-8-6-5-7-9-13)12(2)25-18(16)21-11-20-17/h5-9,11,14H,3-4,10H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid?
2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 355.46 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 82022213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).