1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C21H25N7O — CID 22088649

IUPAC1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2C(C)CN(c3ccnc(-c4cccnc4)n3)CC2C)n1
InChIInChI=1S/C21H25N7O/c1-14-12-27(18-6-9-24-21(25-18)17-5-4-8-22-11-17)13-15(2)28(14)19-7-10-23-20(26-19)16(3)29/h4-11,14-16,29H,12-13H2,1-3H3
InChIKeyLOLHWPRCTVOLPT-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.49
Rot. Bonds4

About 1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 22088649) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID22088649
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2C(C)CN(c3ccnc(-c4cccnc4)n3)CC2C)n1
InChIInChI=1S/C21H25N7O/c1-14-12-27(18-6-9-24-21(25-18)17-5-4-8-22-11-17)13-15(2)28(14)19-7-10-23-20(26-19)16(3)29/h4-11,14-16,29H,12-13H2,1-3H3
InChIKeyLOLHWPRCTVOLPT-UHFFFAOYSA-N
XLogP2.49
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-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
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-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 59984439
(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
(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 124840029
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
pyridin-3-yl 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2-phenylpiperazine-1-carboxylate
CID 22088688
1-[4-[(3S,5R)-4-(2-acetylpyrimidin-4-yl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanone
CID 10291693
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-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol
CID 22328619
1-[4-(7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol
CID 22328673

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 22088649) is 1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is CC(O)c1nccc(N2C(C)CN(c3ccnc(-c4cccnc4)n3)CC2C)n1.
What is the InChIKey of 1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is LOLHWPRCTVOLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-14-12-27(18-6-9-24-21(25-18)17-5-4-8-22-11-17)13-15(2)28(14)19-7-10-23-20(26-19)16(3)29/h4-11,14-16,29H,12-13H2,1-3H3.
What are the key properties of 1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 391.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22088649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).