(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

C26H31N7O3 — CID 171655023

About (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 171655023) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• PubChem CID: 171655023
• Molecular Formula: C26H31N7O3
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.25
• IUPAC Name: (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• SMILES: Cc1nc(N)ccc1CNC(=O)[C@@H]1CCc2ncc(NCc3cccc(N4CCOCC4)c3)c(=O)n21
• InChI: InChI=1S/C26H31N7O3/c1-17-19(5-7-23(27)31-17)15-30-25(34)22-6-8-24-29-16-21(26(35)33(22)24)28-14-18-3-2-4-20(13-18)32-9-11-36-12-10-32/h2-5,7,13,16,22,28H,6,8-12,14-15H2,1H3,(H2,27,31)(H,30,34)/t22-/m0/s1
• InChIKey: RGWVCYYXKVIIES-QFIPXVFZSA-N
• XLogP: 1.78
• TPSA: 127.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 171655023) is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is Cc1nc(N)ccc1CNC(=O)[C@@H]1CCc2ncc(NCc3cccc(N4CCOCC4)c3)c(=O)n21.

What is the InChIKey of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The InChIKey is RGWVCYYXKVIIES-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-17-19(5-7-23(27)31-17)15-30-25(34)22-6-8-24-29-16-21(26(35)33(22)24)28-14-18-3-2-4-20(13-18)32-9-11-36-12-10-32/h2-5,7,13,16,22,28H,6,8-12,14-15H2,1H3,(H2,27,31)(H,30,34)/t22-/m0/s1.

What are the key properties of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3-morpholin-4-ylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 171655023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).