2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid

C13H9FN4O2S — CID 151747790

IUPAC2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(NCc2cncc(F)c2)nc2ccsc12
InChIInChI=1S/C13H9FN4O2S/c14-8-3-7(4-15-6-8)5-16-13-17-9-1-2-21-11(9)10(18-13)12(19)20/h1-4,6H,5H2,(H,19,20)(H,16,17,18)
InChIKeyRNWMBPVXMWOOBN-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.54
Rot. Bonds4

About 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid

2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid (PubChem CID 151747790) has the molecular formula C13H9FN4O2S and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid
PubChem CID151747790
Molecular FormulaC13H9FN4O2S
Molecular Weight304.31 g/mol
Exact Mass304.04
IUPAC Name2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(NCc2cncc(F)c2)nc2ccsc12
InChIInChI=1S/C13H9FN4O2S/c14-8-3-7(4-15-6-8)5-16-13-17-9-1-2-21-11(9)10(18-13)12(19)20/h1-4,6H,5H2,(H,19,20)(H,16,17,18)
InChIKeyRNWMBPVXMWOOBN-UHFFFAOYSA-N
XLogP2.54
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid methyl-amide
CID 25230098
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid ethyl-amide
CID 25231167
[2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 137525173
[2-[(5-Fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 137538620
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-(2-hydroxyethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538663
2-[(5-fluoro-3-pyridinyl)methylamino]-N-(2-hydroxyethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538767
2-[(5-fluoro-3-pyridinyl)methylamino]-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538827
N-[(5-fluoro-3-pyridinyl)methyl]-2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538963
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[2-(2-hydroxyphenyl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137539149
[2-[(5-Fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 137539276
[2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 137539292
Azetidin-1-yl-[2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 137539293

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid (CID 151747790) is 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid is O=C(O)c1nc(NCc2cncc(F)c2)nc2ccsc12.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid?
The InChIKey is RNWMBPVXMWOOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2S/c14-8-3-7(4-15-6-8)5-16-13-17-9-1-2-21-11(9)10(18-13)12(19)20/h1-4,6H,5H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid?
2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid has a molecular weight of 304.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 151747790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).