4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C17H18FN5O2S — CID 58413374

About 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58413374) has the molecular formula C17H18FN5O2S and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 58413374
• Molecular Formula: C17H18FN5O2S
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.12
• IUPAC Name: 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CN)c12
• InChI: InChI=1S/C17H18FN5O2S/c1-8(6-19)25-12-5-10(18)3-4-11(12)23-16-13-9(2)14(15(20)24)26-17(13)22-7-21-16/h3-5,7-8H,6,19H2,1-2H3,(H2,20,24)(H,21,22,23)/t8-/m0/s1
• InChIKey: SPAPSHUCUFGUGG-QMMMGPOBSA-N
• XLogP: 2.71
• TPSA: 116.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 58413374) is 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CN)c12.

What is the InChIKey of 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is SPAPSHUCUFGUGG-QMMMGPOBSA-N. The full InChI is InChI=1S/C17H18FN5O2S/c1-8(6-19)25-12-5-10(18)3-4-11(12)23-16-13-9(2)14(15(20)24)26-17(13)22-7-21-16/h3-5,7-8H,6,19H2,1-2H3,(H2,20,24)(H,21,22,23)/t8-/m0/s1.

What are the key properties of 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58413374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).