2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol

C18H26N6O2 — CID 22088548

IUPAC2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cc(N2C[C@@H](C)N(c3ccnc(CCO)n3)[C@@H](C)C2)nc(CO)n1
InChIInChI=1S/C18H26N6O2/c1-12-8-18(22-16(11-26)20-12)23-9-13(2)24(14(3)10-23)17-4-6-19-15(21-17)5-7-25/h4,6,8,13-14,25-26H,5,7,9-11H2,1-3H3/t13-,14+
InChIKeyYTQIRWPUEABUFW-OKILXGFUSA-N
MW358.45 g/mol
LogP0.71
Rot. Bonds5

About 2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol

2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 22088548) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID22088548
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cc(N2C[C@@H](C)N(c3ccnc(CCO)n3)[C@@H](C)C2)nc(CO)n1
InChIInChI=1S/C18H26N6O2/c1-12-8-18(22-16(11-26)20-12)23-9-13(2)24(14(3)10-23)17-4-6-19-15(21-17)5-7-25/h4,6,8,13-14,25-26H,5,7,9-11H2,1-3H3/t13-,14+
InChIKeyYTQIRWPUEABUFW-OKILXGFUSA-N
XLogP0.71
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol (CID 22088548) is 2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol is Cc1cc(N2C[C@@H](C)N(c3ccnc(CCO)n3)[C@@H](C)C2)nc(CO)n1.
What is the InChIKey of 2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is YTQIRWPUEABUFW-OKILXGFUSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12-8-18(22-16(11-26)20-12)23-9-13(2)24(14(3)10-23)17-4-6-19-15(21-17)5-7-25/h4,6,8,13-14,25-26H,5,7,9-11H2,1-3H3/t13-,14+.
What are the key properties of 2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 358.45 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22088548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).