[2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride

C56H66BrCl4N13O7 — CID 158227669

About [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride

[2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride (PubChem CID 158227669) has the molecular formula C56H66BrCl4N13O7 and a molecular weight of 1254.94 g/mol. Its IUPAC name is [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

• Compound Name: [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride
• PubChem CID: 158227669
• Molecular Formula: C56H66BrCl4N13O7
• Molecular Weight: 1254.94 g/mol
• Exact Mass: 1251.31
• IUPAC Name: [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride
• SMILES: CC1CCN(c2ccnc(N)n2)C1.COc1cc(CO)c(-c2cn3ccc(N4CCC(C)C4)nc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CCC(N)C4)nc3n2)cc1Cl.COc1cc(CO)c(C(=O)CBr)cc1Cl.Cl
• InChI: InChI=1S/C19H21ClN4O2.C18H20ClN5O2.C10H10BrClO3.C9H14N4.ClH/c1-12-3-5-23(9-12)18-4-6-24-10-16(21-19(24)22-18)14-8-15(20)17(26-2)7-13(14)11-25;1-26-16-6-11(10-25)13(7-14(16)19)15-9-24-5-3-17(22-18(24)21-15)23-4-2-12(20)8-23;1-15-10-2-6(5-13)7(3-8(10)12)9(14)4-11;1-7-3-5-13(6-7)8-2-4-11-9(10)12-8;/h4,6-8,10,12,25H,3,5,9,11H2,1-2H3;3,5-7,9,12,25H,2,4,8,10,20H2,1H3;2-3,13H,4-5H2,1H3;2,4,7H,3,5-6H2,1H3,(H2,10,11,12);1H
• InChIKey: MJYFQQZBEMXUEQ-UHFFFAOYSA-N
• XLogP: 9.23
• TPSA: 253.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1254.94
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride?

The IUPAC name of [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride (CID 158227669) is [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride.

What is the SMILES notation for [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride?

The canonical SMILES for [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride is CC1CCN(c2ccnc(N)n2)C1.COc1cc(CO)c(-c2cn3ccc(N4CCC(C)C4)nc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CCC(N)C4)nc3n2)cc1Cl.COc1cc(CO)c(C(=O)CBr)cc1Cl.Cl.

What is the InChIKey of [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride?

The InChIKey is MJYFQQZBEMXUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2.C18H20ClN5O2.C10H10BrClO3.C9H14N4.ClH/c1-12-3-5-23(9-12)18-4-6-24-10-16(21-19(24)22-18)14-8-15(20)17(26-2)7-13(14)11-25;1-26-16-6-11(10-25)13(7-14(16)19)15-9-24-5-3-17(22-18(24)21-15)23-4-2-12(20)8-23;1-15-10-2-6(5-13)7(3-8(10)12)9(14)4-11;1-7-3-5-13(6-7)8-2-4-11-9(10)12-8;/h4,6-8,10,12,25H,3,5,9,11H2,1-2H3;3,5-7,9,12,25H,2,4,8,10,20H2,1H3;2-3,13H,4-5H2,1H3;2,4,7H,3,5-6H2,1H3,(H2,10,11,12);1H.

What are the key properties of [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride?

[2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride has a molecular weight of 1254.94 g/mol, XLogP of 9.23, 13 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[7-(3-aminopyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]ethanone;[4-chloro-5-methoxy-2-[7-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]methanol;4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 158227669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).