(1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol

C17H25N7O2 — CID 59083738

IUPAC(1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1nc(CO)nc(N2[C@H](C)CN(c3ccnc([C@@H](C)O)n3)C[C@@H]2C)n1
InChIInChI=1S/C17H25N7O2/c1-10-7-23(15-5-6-18-16(22-15)12(3)26)8-11(2)24(10)17-20-13(4)19-14(9-25)21-17/h5-6,10-12,25-26H,7-9H2,1-4H3/t10-,11+,12-/m1/s1
InChIKeyCLEPTKZNDADCNU-GRYCIOLGSA-N
MW359.43 g/mol
LogP0.62
Rot. Bonds4

About (1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 59083738) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID59083738
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name(1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1nc(CO)nc(N2[C@H](C)CN(c3ccnc([C@@H](C)O)n3)C[C@@H]2C)n1
InChIInChI=1S/C17H25N7O2/c1-10-7-23(15-5-6-18-16(22-15)12(3)26)8-11(2)24(10)17-20-13(4)19-14(9-25)21-17/h5-6,10-12,25-26H,7-9H2,1-4H3/t10-,11+,12-/m1/s1
InChIKeyCLEPTKZNDADCNU-GRYCIOLGSA-N
XLogP0.62
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol with MolForge

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Related Compounds

(1S)-1-[4-[(2R,6S)-4-[4-[(1S)-1-hydroxyethyl]-1,3,5-triazin-2-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 10133091
(1R)-1-[4-[(2R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 10980854
(1R)-1-[4-[(2S)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 11046187
1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088649
2-[(3R,5S)-4-[2-[(1R)-1-butoxyethyl]pyrimidin-4-yl]-3,5-dimethylpiperazin-1-yl]-4,6-dimethyl-1,3,5-triazine
CID 11047639
1-[(2S,6R)-4-[2-[(1R)-1-hydroxyethyl]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 22088594
(1R)-1-[4-[(3R)-4-[4-(methoxymethyl)-1,3,5-triazin-2-yl]-3-methyl-5-methylidenepiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 147683885
[4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol
CID 142019428
2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088548
2-[4-[(3R)-4-[5-deuterio-2-[(1R)-1-hydroxyethyl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]acetaldehyde
CID 91575172
1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088654
1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 90916352

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol (CID 59083738) is (1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol is Cc1nc(CO)nc(N2[C@H](C)CN(c3ccnc([C@@H](C)O)n3)C[C@@H]2C)n1.
What is the InChIKey of (1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is CLEPTKZNDADCNU-GRYCIOLGSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-10-7-23(15-5-6-18-16(22-15)12(3)26)8-11(2)24(10)17-20-13(4)19-14(9-25)21-17/h5-6,10-12,25-26H,7-9H2,1-4H3/t10-,11+,12-/m1/s1.
What are the key properties of (1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 359.43 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 59083738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).