N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide

C17H20N4O3S — CID 125171845

About N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 125171845) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 125171845
• Molecular Formula: C17H20N4O3S
• Molecular Weight: 360.44 g/mol
• Exact Mass: 360.13
• IUPAC Name: N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1ccc(CNc2ncnc3sc(C(=O)N[C@@H](C)CO)c(C)c23)o1
• InChI: InChI=1S/C17H20N4O3S/c1-9(7-22)21-16(23)14-11(3)13-15(19-8-20-17(13)25-14)18-6-12-5-4-10(2)24-12/h4-5,8-9,22H,6-7H2,1-3H3,(H,21,23)(H,18,19,20)/t9-/m0/s1
• InChIKey: UBCJHUUYDSPXCZ-VIFPVBQESA-N
• XLogP: 2.62
• TPSA: 100.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.44
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 125171845) is N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(CNc2ncnc3sc(C(=O)N[C@@H](C)CO)c(C)c23)o1.

What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is UBCJHUUYDSPXCZ-VIFPVBQESA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-9(7-22)21-16(23)14-11(3)13-15(19-8-20-17(13)25-14)18-6-12-5-4-10(2)24-12/h4-5,8-9,22H,6-7H2,1-3H3,(H,21,23)(H,18,19,20)/t9-/m0/s1.

What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?

N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 125171845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).