2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid

C15H20N4O3S — CID 82033180

IUPAC2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1sc2ncnc(N(C)C)c2c1C)C(=O)O
InChIInChI=1S/C15H20N4O3S/c1-5-6-9(15(21)22)18-13(20)11-8(2)10-12(19(3)4)16-7-17-14(10)23-11/h7,9H,5-6H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyROYSLXKFRNQJMV-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.05
Rot. Bonds6

About 2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid

2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid (PubChem CID 82033180) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid
PubChem CID82033180
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1sc2ncnc(N(C)C)c2c1C)C(=O)O
InChIInChI=1S/C15H20N4O3S/c1-5-6-9(15(21)22)18-13(20)11-8(2)10-12(19(3)4)16-7-17-14(10)23-11/h7,9H,5-6H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyROYSLXKFRNQJMV-UHFFFAOYSA-N
XLogP2.05
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]pentanoic acid
CID 82033138
(2S)-2-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]pentanoic acid
CID 107564324
(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
CID 82032721
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
2-[(5-methyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 82022279
4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4547744
(2S)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 97337438
propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28847295
(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 125041047
2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 84557901
4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 82032566

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid (CID 82033180) is 2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid is CCCC(NC(=O)c1sc2ncnc(N(C)C)c2c1C)C(=O)O.
What is the InChIKey of 2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid?
The InChIKey is ROYSLXKFRNQJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-5-6-9(15(21)22)18-13(20)11-8(2)10-12(19(3)4)16-7-17-14(10)23-11/h7,9H,5-6H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid?
2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid has a molecular weight of 336.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 82033180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).