2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid

C15H21N3O2S — CID 6487537

IUPAC2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
SMILESCCc1cc2c(NC(C(=O)O)C(C)CC)nc(C)nc2s1
InChIInChI=1S/C15H21N3O2S/c1-5-8(3)12(15(19)20)18-13-11-7-10(6-2)21-14(11)17-9(4)16-13/h7-8,12H,5-6H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyCUXKTIBIQATDCJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.47
Rot. Bonds6

About 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid

2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid (PubChem CID 6487537) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
PubChem CID6487537
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
SMILESCCc1cc2c(NC(C(=O)O)C(C)CC)nc(C)nc2s1
InChIInChI=1S/C15H21N3O2S/c1-5-8(3)12(15(19)20)18-13-11-7-10(6-2)21-14(11)17-9(4)16-13/h7-8,12H,5-6H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyCUXKTIBIQATDCJ-UHFFFAOYSA-N
XLogP3.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid (CID 6487537) is 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid is CCc1cc2c(NC(C(=O)O)C(C)CC)nc(C)nc2s1.
What is the InChIKey of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid?
The InChIKey is CUXKTIBIQATDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-8(3)12(15(19)20)18-13-11-7-10(6-2)21-14(11)17-9(4)16-13/h7-8,12H,5-6H2,1-4H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid?
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid has a molecular weight of 307.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 6487537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).