N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

About N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 178138672) has the molecular formula C26H28N6O2S and a molecular weight of 488.62 g/mol. Its IUPAC name is N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name	N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
PubChem CID	178138672
Molecular Formula	C26H28N6O2S
Molecular Weight	488.62 g/mol
Exact Mass	488.20
IUPAC Name	N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILES	CC1CC(C(=O)NCc2cc3cnc(N)cc3s2)n2c1ncc(NCCCc1ccccc1)c2=O
InChI	InChI=1S/C26H28N6O2S/c1-16-10-21(25(33)31-14-19-11-18-13-29-23(27)12-22(18)35-19)32-24(16)30-15-20(26(32)34)28-9-5-8-17-6-3-2-4-7-17/h2-4,6-7,11-13,15-16,21,28H,5,8-10,14H2,1H3,(H2,27,29)(H,31,33)
InChIKey	DIVAAVHCGKYWCU-UHFFFAOYSA-N
XLogP	3.84
TPSA	114.93 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.62
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 178138672) is N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is CC1CC(C(=O)NCc2cc3cnc(N)cc3s2)n2c1ncc(NCCCc1ccccc1)c2=O.

What is the InChIKey of N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The InChIKey is DIVAAVHCGKYWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S/c1-16-10-21(25(33)31-14-19-11-18-13-29-23(27)12-22(18)35-19)32-24(16)30-15-20(26(32)34)28-9-5-8-17-6-3-2-4-7-17/h2-4,6-7,11-13,15-16,21,28H,5,8-10,14H2,1H3,(H2,27,29)(H,31,33).

What are the key properties of N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 488.62 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 178138672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).