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

C24H28N6O2 — CID 171654948

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

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 171654948) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3,4-dimethylphenyl)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-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• PubChem CID: 171654948
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• SMILES: Cc1ccc(CNc2cnc3n(c2=O)[C@H](C(=O)NCc2ccc(N)nc2C)CC3)cc1C
• InChI: InChI=1S/C24H28N6O2/c1-14-4-5-17(10-15(14)2)11-26-19-13-27-22-9-7-20(30(22)24(19)32)23(31)28-12-18-6-8-21(25)29-16(18)3/h4-6,8,10,13,20,26H,7,9,11-12H2,1-3H3,(H2,25,29)(H,28,31)/t20-/m0/s1
• InChIKey: GMFNIWFHSHKWEO-FQEVSTJZSA-N
• XLogP: 2.56
• TPSA: 114.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3,4-dimethylphenyl)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-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 171654948) is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3,4-dimethylphenyl)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-[(3,4-dimethylphenyl)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-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is Cc1ccc(CNc2cnc3n(c2=O)[C@H](C(=O)NCc2ccc(N)nc2C)CC3)cc1C.

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

The InChIKey is GMFNIWFHSHKWEO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-14-4-5-17(10-15(14)2)11-26-19-13-27-22-9-7-20(30(22)24(19)32)23(31)28-12-18-6-8-21(25)29-16(18)3/h4-6,8,10,13,20,26H,7,9,11-12H2,1-3H3,(H2,25,29)(H,28,31)/t20-/m0/s1.

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

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 171654948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).