(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

C17H25N7O2 — CID 10133091

IUPAC(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
SMILESC[C@H](O)c1nccc(N2[C@H](C)CN(c3ncnc([C@H](C)O)n3)C[C@@H]2C)n1
InChIInChI=1S/C17H25N7O2/c1-10-7-23(17-20-9-19-16(22-17)13(4)26)8-11(2)24(10)14-5-6-18-15(21-14)12(3)25/h5-6,9-13,25-26H,7-8H2,1-4H3/t10-,11+,12-,13-/m0/s1
InChIKeyFRWLNBJIGJYGFS-RNJOBUHISA-N
MW359.43 g/mol
LogP0.87
Rot. Bonds4

About (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

(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 (PubChem CID 10133091) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10133091
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name(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
SMILESC[C@H](O)c1nccc(N2[C@H](C)CN(c3ncnc([C@H](C)O)n3)C[C@@H]2C)n1
InChIInChI=1S/C17H25N7O2/c1-10-7-23(17-20-9-19-16(22-17)13(4)26)8-11(2)24(10)14-5-6-18-15(21-14)12(3)25/h5-6,9-13,25-26H,7-8H2,1-4H3/t10-,11+,12-,13-/m0/s1
InChIKeyFRWLNBJIGJYGFS-RNJOBUHISA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088649
1-[4-[2,6-dimethyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088654
(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
(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
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
(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-[(2S,6R)-4-[2-[(1R)-1-hydroxyethyl]pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 22088594
1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
CID 22088662
1-[4-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22328723
1-[4-[(3S,5R)-4-(2-acetylpyrimidin-4-yl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanone
CID 10291693
2-[4-[(3R)-4-[5-deuterio-2-[(1R)-1-hydroxyethyl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyrimidin-2-yl]acetaldehyde
CID 91575172

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](O)c1nccc(N2[C@H](C)CN(c3ncnc([C@H](C)O)n3)C[C@@H]2C)n1.
What is the InChIKey of (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?
The InChIKey is FRWLNBJIGJYGFS-RNJOBUHISA-N. The full InChI is InChI=1S/C17H25N7O2/c1-10-7-23(17-20-9-19-16(22-17)13(4)26)8-11(2)24(10)14-5-6-18-15(21-14)12(3)25/h5-6,9-13,25-26H,7-8H2,1-4H3/t10-,11+,12-,13-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 359.43 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10133091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).