N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

C23H25FN4O3S — CID 135931467

About N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 135931467) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
• PubChem CID: 135931467
• Molecular Formula: C23H25FN4O3S
• Molecular Weight: 456.54 g/mol
• Exact Mass: 456.16
• IUPAC Name: N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
• SMILES: Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1
• InChI: InChI=1S/C23H25FN4O3S/c1-15-18(22(30)27-23(25-15)28-10-12-31-13-11-28)8-9-20(29)26-21(19-3-2-14-32-19)16-4-6-17(24)7-5-16/h2-7,14,21H,8-13H2,1H3,(H,26,29)(H,25,27,30)/t21-/m1/s1
• InChIKey: WAMLUUBDSGIJBF-OAQYLSRUSA-N
• XLogP: 2.95
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.54
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?

The IUPAC name of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 135931467) is N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.

What is the SMILES notation for N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?

The canonical SMILES for N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1.

What is the InChIKey of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?

The InChIKey is WAMLUUBDSGIJBF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-15-18(22(30)27-23(25-15)28-10-12-31-13-11-28)8-9-20(29)26-21(19-3-2-14-32-19)16-4-6-17(24)7-5-16/h2-7,14,21H,8-13H2,1H3,(H,26,29)(H,25,27,30)/t21-/m1/s1.

What are the key properties of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?

N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 456.54 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135931467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).