(1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol

C16H22N6O2 — CID 11121071

IUPAC(1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cc(CO)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-11-9-13(10-23)19-16(18-11)22-7-5-21(6-8-22)14-3-4-17-15(20-14)12(2)24/h3-4,9,12,23-24H,5-8,10H2,1-2H3/t12-/m1/s1
InChIKeyXHUVKPBKQROBSA-GFCCVEGCSA-N
MW330.39 g/mol
LogP0.45
Rot. Bonds4

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

(1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 11121071) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID11121071
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cc(CO)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-11-9-13(10-23)19-16(18-11)22-7-5-21(6-8-22)14-3-4-17-15(20-14)12(2)24/h3-4,9,12,23-24H,5-8,10H2,1-2H3/t12-/m1/s1
InChIKeyXHUVKPBKQROBSA-GFCCVEGCSA-N
XLogP0.45
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 11121071) is (1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol is Cc1cc(CO)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1.
What is the InChIKey of (1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is XHUVKPBKQROBSA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11-9-13(10-23)19-16(18-11)22-7-5-21(6-8-22)14-3-4-17-15(20-14)12(2)24/h3-4,9,12,23-24H,5-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 330.39 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11121071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).