N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C23H29N5O3S — CID 55847360

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55847360) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 55847360
• Molecular Formula: C23H29N5O3S
• Molecular Weight: 455.58 g/mol
• Exact Mass: 455.20
• IUPAC Name: N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: COCc1nc(OC)c2c(C)c(C(=O)NCc3ccc(N4CCCCCC4)nc3)sc2n1
• InChI: InChI=1S/C23H29N5O3S/c1-15-19-22(31-3)26-17(14-30-2)27-23(19)32-20(15)21(29)25-13-16-8-9-18(24-12-16)28-10-6-4-5-7-11-28/h8-9,12H,4-7,10-11,13-14H2,1-3H3,(H,25,29)
• InChIKey: CEPPOTLURTYFHA-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.58
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55847360) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NCc3ccc(N4CCCCCC4)nc3)sc2n1.

What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is CEPPOTLURTYFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S/c1-15-19-22(31-3)26-17(14-30-2)27-23(19)32-20(15)21(29)25-13-16-8-9-18(24-12-16)28-10-6-4-5-7-11-28/h8-9,12H,4-7,10-11,13-14H2,1-3H3,(H,25,29).

What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55847360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).