2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid

C15H19N3O4S — CID 82032721

IUPAC2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1sc2nc(C)[nH]c(=O)c2c1C)C(=O)O
InChIInChI=1S/C15H19N3O4S/c1-4-5-6-9(15(21)22)18-13(20)11-7(2)10-12(19)16-8(3)17-14(10)23-11/h9H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H,16,17,19)
InChIKeySYRVRZTYWBUBMM-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.97
Rot. Bonds6

About 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid

2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid (PubChem CID 82032721) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
PubChem CID82032721
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1sc2nc(C)[nH]c(=O)c2c1C)C(=O)O
InChIInChI=1S/C15H19N3O4S/c1-4-5-6-9(15(21)22)18-13(20)11-7(2)10-12(19)16-8(3)17-14(10)23-11/h9H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H,16,17,19)
InChIKeySYRVRZTYWBUBMM-UHFFFAOYSA-N
XLogP1.97
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid with MolForge

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Related Compounds

2,5-dimethyl-N-(6-methylheptan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 53369634
2-[[2-[(dimethylamino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl]amino]butanedioic acid
CID 110496717
(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
N-cyclopropyl-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084641
2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82032622
N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46571134
2-[(2-ethyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
CID 82033883
4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 82032566
2-[(5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d][1,3]oxazine-6-carbonyl)amino]butanoic acid
CID 82033891
2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 104543694
2-[[4-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]pentanoic acid
CID 82033180
(2S)-2-[(5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031784

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid (CID 82032721) is 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1sc2nc(C)[nH]c(=O)c2c1C)C(=O)O.
What is the InChIKey of 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid?
The InChIKey is SYRVRZTYWBUBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-5-6-9(15(21)22)18-13(20)11-7(2)10-12(19)16-8(3)17-14(10)23-11/h9H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H,16,17,19).
What are the key properties of 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid?
2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid has a molecular weight of 337.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82032721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).