N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide

C28H37N7O2 — CID 16665425

About N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide

N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide (PubChem CID 16665425) has the molecular formula C28H37N7O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide
• PubChem CID: 16665425
• Molecular Formula: C28H37N7O2
• Molecular Weight: 503.65 g/mol
• Exact Mass: 503.30
• IUPAC Name: N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide
• SMILES: Cc1c(-c2ccnc(Nc3cccc(CCC(=O)N(C)CCCN(C)C)c3)n2)c(C)n2c1C(=O)NCC2
• InChI: InChI=1S/C28H37N7O2/c1-19-25(20(2)35-17-14-29-27(37)26(19)35)23-12-13-30-28(32-23)31-22-9-6-8-21(18-22)10-11-24(36)34(5)16-7-15-33(3)4/h6,8-9,12-13,18H,7,10-11,14-17H2,1-5H3,(H,29,37)(H,30,31,32)
• InChIKey: QWENMKSUZBFRFB-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 95.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.65
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide (CID 16665425) is N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide is Cc1c(-c2ccnc(Nc3cccc(CCC(=O)N(C)CCCN(C)C)c3)n2)c(C)n2c1C(=O)NCC2.

What is the InChIKey of N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide?

The InChIKey is QWENMKSUZBFRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O2/c1-19-25(20(2)35-17-14-29-27(37)26(19)35)23-12-13-30-28(32-23)31-22-9-6-8-21(18-22)10-11-24(36)34(5)16-7-15-33(3)4/h6,8-9,12-13,18H,7,10-11,14-17H2,1-5H3,(H,29,37)(H,30,31,32).

What are the key properties of N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide?

N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide has a molecular weight of 503.65 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-3-[3-[[4-(6,8-dimethyl-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide is sourced from PubChem (CID 16665425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).