2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol

C20H29N5O2 — CID 95863076

About 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol

2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol (PubChem CID 95863076) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol
• PubChem CID: 95863076
• Molecular Formula: C20H29N5O2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.23
• IUPAC Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol
• SMILES: CNc1cc(C)nc(N2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)n1
• InChI: InChI=1S/C20H29N5O2/c1-15-11-19(21-2)23-20(22-15)25-9-8-24(17(14-25)7-10-26)13-16-5-4-6-18(12-16)27-3/h4-6,11-12,17,26H,7-10,13-14H2,1-3H3,(H,21,22,23)/t17-/m1/s1
• InChIKey: ISEQGSMZXSXPOA-QGZVFWFLSA-N
• XLogP: 1.91
• TPSA: 73.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol (CID 95863076) is 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol is CNc1cc(C)nc(N2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)n1.

What is the InChIKey of 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol?

The InChIKey is ISEQGSMZXSXPOA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-11-19(21-2)23-20(22-15)25-9-8-24(17(14-25)7-10-26)13-16-5-4-6-18(12-16)27-3/h4-6,11-12,17,26H,7-10,13-14H2,1-3H3,(H,21,22,23)/t17-/m1/s1.

What are the key properties of 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol?

2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol has a molecular weight of 371.49 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol is sourced from PubChem (CID 95863076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).