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

C18H26N6O — CID 11035272

IUPAC(1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCCc1cc(CC)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1
InChIInChI=1S/C18H26N6O/c1-4-14-12-15(5-2)21-18(20-14)24-10-8-23(9-11-24)16-6-7-19-17(22-16)13(3)25/h6-7,12-13,25H,4-5,8-11H2,1-3H3/t13-/m1/s1
InChIKeyHVOHTAPRGVZQAG-CYBMUJFWSA-N
MW342.45 g/mol
LogP1.77
Rot. Bonds5

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

(1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 11035272) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID11035272
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCCc1cc(CC)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1
InChIInChI=1S/C18H26N6O/c1-4-14-12-15(5-2)21-18(20-14)24-10-8-23(9-11-24)16-6-7-19-17(22-16)13(3)25/h6-7,12-13,25H,4-5,8-11H2,1-3H3/t13-/m1/s1
InChIKeyHVOHTAPRGVZQAG-CYBMUJFWSA-N
XLogP1.77
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-{4-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]piperazin-1-Yl}ethanol
CID 2795593
1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-3,5-dimethyl-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 10133045
1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-3-methyl-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 10154556
1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-2,6-dimethyl-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 10155331
1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-2-methyl-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 10980854
(1R)-1-[4-[(3R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 10980855
(1R)-1-[4-[(2S)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 11046187
1-{4-[4-(4-Hydroxymethyl-6-methyl-pyrimidin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11121071
1-{4-[4-(4-Phenyl-pyrimidin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 10872151
1-{4-[4-(4,6-Bis-trifluoromethyl-pyrimidin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11015344
1-{4-[4-(4-Methyl-pyrimidin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11055689
1-{4-[4-(2,6-Dimethyl-pyrimidin-4-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11056129

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 11035272) is (1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is CCc1cc(CC)nc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1.
What is the InChIKey of (1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is HVOHTAPRGVZQAG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N6O/c1-4-14-12-15(5-2)21-18(20-14)24-10-8-23(9-11-24)16-6-7-19-17(22-16)13(3)25/h6-7,12-13,25H,4-5,8-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 342.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-(4,6-diethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11035272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).