N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C18H28N4O3S — CID 42162402

About N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42162402) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 42162402
• Molecular Formula: C18H28N4O3S
• Molecular Weight: 380.51 g/mol
• Exact Mass: 380.19
• IUPAC Name: N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCOCCCNC(=O)c1sc2ncnc(N[C@H](CC)COC)c2c1C
• InChI: InChI=1S/C18H28N4O3S/c1-5-13(10-24-4)22-16-14-12(3)15(26-18(14)21-11-20-16)17(23)19-8-7-9-25-6-2/h11,13H,5-10H2,1-4H3,(H,19,23)(H,20,21,22)/t13-/m1/s1
• InChIKey: JWOUIBJGKZSJOZ-CYBMUJFWSA-N
• XLogP: 2.99
• TPSA: 85.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.51
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 42162402) is N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is CCOCCCNC(=O)c1sc2ncnc(N[C@H](CC)COC)c2c1C.

What is the InChIKey of N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is JWOUIBJGKZSJOZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-5-13(10-24-4)22-16-14-12(3)15(26-18(14)21-11-20-16)17(23)19-8-7-9-25-6-2/h11,13H,5-10H2,1-4H3,(H,19,23)(H,20,21,22)/t13-/m1/s1.

What are the key properties of N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 2.99, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42162402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).