(1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C16H22N6O — CID 11056129

IUPAC(1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)nc(C)n1
InChIInChI=1S/C16H22N6O/c1-11-10-15(19-13(3)18-11)22-8-6-21(7-9-22)14-4-5-17-16(20-14)12(2)23/h4-5,10,12,23H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyVSICQSNVBXPTBF-GFCCVEGCSA-N
MW314.39 g/mol
LogP1.26
Rot. Bonds3

About (1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 11056129) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID11056129
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)nc(C)n1
InChIInChI=1S/C16H22N6O/c1-11-10-15(19-13(3)18-11)22-8-6-21(7-9-22)14-4-5-17-16(20-14)12(2)23/h4-5,10,12,23H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyVSICQSNVBXPTBF-GFCCVEGCSA-N
XLogP1.26
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 11056129) is (1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is Cc1cc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)nc(C)n1.
What is the InChIKey of (1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is VSICQSNVBXPTBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-10-15(19-13(3)18-11)22-8-6-21(7-9-22)14-4-5-17-16(20-14)12(2)23/h4-5,10,12,23H,6-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 314.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11056129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).