2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide

About 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide

2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 129165651) has the molecular formula C29H37FN6O6S and a molecular weight of 616.72 g/mol. Its IUPAC name is 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name	2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide
PubChem CID	129165651
Molecular Formula	C29H37FN6O6S
Molecular Weight	616.72 g/mol
Exact Mass	616.25
IUPAC Name	2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide
SMILES	COCCCO[C@@H](Cn1c(=O)n(C(C)(C)C(=O)NC(C)C)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC
InChI	InChI=1S/C29H37FN6O6S/c1-17(2)33-27(38)29(4,5)35-24(37)23-18(3)25(36-31-11-12-32-36)43-26(23)34(28(35)39)16-22(42-14-8-13-40-6)20-15-19(30)9-10-21(20)41-7/h9-12,15,17,22H,8,13-14,16H2,1-7H3,(H,33,38)/t22-/m0/s1
InChIKey	ABDDWTJUSLIHNS-QFIPXVFZSA-N
XLogP	3.32
TPSA	131.50 Å²
H-Bond Donors	1
H-Bond Acceptors	12
Rotatable Bonds	13
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.72
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide?

The IUPAC name of 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide (CID 129165651) is 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide.

What is the SMILES notation for 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide?

The canonical SMILES for 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide is COCCCO[C@@H](Cn1c(=O)n(C(C)(C)C(=O)NC(C)C)c(=O)c2c(C)c(-n3nccn3)sc21)c1cc(F)ccc1OC.

What is the InChIKey of 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide?

The InChIKey is ABDDWTJUSLIHNS-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H37FN6O6S/c1-17(2)33-27(38)29(4,5)35-24(37)23-18(3)25(36-31-11-12-32-36)43-26(23)34(28(35)39)16-22(42-14-8-13-40-6)20-15-19(30)9-10-21(20)41-7/h9-12,15,17,22H,8,13-14,16H2,1-7H3,(H,33,38)/t22-/m0/s1.

What are the key properties of 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide?

2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 616.72 g/mol, XLogP of 3.32, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 129165651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).