2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid

C14H13N3O3S — CID 102685941

IUPAC2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNc2ncnc3c(C)csc23)cc1C(=O)O
InChIInChI=1S/C14H13N3O3S/c1-7-5-21-12-11(7)16-6-17-13(12)15-4-9-3-10(14(18)19)8(2)20-9/h3,5-6H,4H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyMVVXBUKPXFDOKP-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.21
Rot. Bonds4

About 2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid (PubChem CID 102685941) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid
PubChem CID102685941
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNc2ncnc3c(C)csc23)cc1C(=O)O
InChIInChI=1S/C14H13N3O3S/c1-7-5-21-12-11(7)16-6-17-13(12)15-4-9-3-10(14(18)19)8(2)20-9/h3,5-6H,4H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyMVVXBUKPXFDOKP-UHFFFAOYSA-N
XLogP3.21
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 114045496
2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid
CID 83063021
7-methyl-N-(1,2-oxazol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 106419173
2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol
CID 102686720
5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 62962247
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide
CID 102686608
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
5-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 65270189
4-[2-(dimethylamino)ethylamino]thieno[3,2-d]pyrimidine-7-carboxylic acid
CID 90019827
4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 102686030
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid (CID 102685941) is 2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid is Cc1oc(CNc2ncnc3c(C)csc23)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is MVVXBUKPXFDOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-7-5-21-12-11(7)16-6-17-13(12)15-4-9-3-10(14(18)19)8(2)20-9/h3,5-6H,4H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 102685941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).