2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H10F3N3O2S — CID 102686019

IUPAC2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1csc2c(N(CC(=O)O)CC(F)(F)F)ncnc12
InChIInChI=1S/C11H10F3N3O2S/c1-6-3-20-9-8(6)15-5-16-10(9)17(2-7(18)19)4-11(12,13)14/h3,5H,2,4H2,1H3,(H,18,19)
InChIKeyPMWWNLNAXHHBDD-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.45
Rot. Bonds4

About 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 102686019) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID102686019
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1csc2c(N(CC(=O)O)CC(F)(F)F)ncnc12
InChIInChI=1S/C11H10F3N3O2S/c1-6-3-20-9-8(6)15-5-16-10(9)17(2-7(18)19)4-11(12,13)14/h3,5H,2,4H2,1H3,(H,18,19)
InChIKeyPMWWNLNAXHHBDD-UHFFFAOYSA-N
XLogP2.45
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 102686019) is 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1csc2c(N(CC(=O)O)CC(F)(F)F)ncnc12.
What is the InChIKey of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PMWWNLNAXHHBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-6-3-20-9-8(6)15-5-16-10(9)17(2-7(18)19)4-11(12,13)14/h3,5H,2,4H2,1H3,(H,18,19).
What are the key properties of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 305.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 102686019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).