N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide

C24H34N6O3 — CID 118552570

About N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide

N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide (PubChem CID 118552570) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide
• PubChem CID: 118552570
• Molecular Formula: C24H34N6O3
• Molecular Weight: 454.58 g/mol
• Exact Mass: 454.27
• IUPAC Name: N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide
• SMILES: CC(C)(O)CNCC1CN2C=NC(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)=CC2=N1
• InChI: InChI=1S/C24H34N6O3/c1-24(2,33)15-25-10-19-13-30-16-27-21(9-22(30)28-19)23(32)26-11-20(31)14-29-8-7-17-5-3-4-6-18(17)12-29/h3-6,9,16,19-20,25,31,33H,7-8,10-15H2,1-2H3,(H,26,32)/t19?,20-/m0/s1
• InChIKey: IEIJBTXMCIOWGV-ANYOKISRSA-N
• XLogP: -0.11
• TPSA: 112.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.58
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide?

The IUPAC name of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide (CID 118552570) is N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide.

What is the SMILES notation for N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide?

The canonical SMILES for N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide is CC(C)(O)CNCC1CN2C=NC(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)=CC2=N1.

What is the InChIKey of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide?

The InChIKey is IEIJBTXMCIOWGV-ANYOKISRSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-24(2,33)15-25-10-19-13-30-16-27-21(9-22(30)28-19)23(32)26-11-20(31)14-29-8-7-17-5-3-4-6-18(17)12-29/h3-6,9,16,19-20,25,31,33H,7-8,10-15H2,1-2H3,(H,26,32)/t19?,20-/m0/s1.

What are the key properties of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide?

N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide has a molecular weight of 454.58 g/mol, XLogP of -0.11, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide is sourced from PubChem (CID 118552570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).