1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol

C21H27N5O2 — CID 90182168

IUPAC1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol
SMILESCc1ncc(-c2cn(C)nc2C(C)O)c(OC[C@@H](C)C(C)c2ccccn2)n1
InChIInChI=1S/C21H27N5O2/c1-13(14(2)19-8-6-7-9-22-19)12-28-21-17(10-23-16(4)24-21)18-11-26(5)25-20(18)15(3)27/h6-11,13-15,27H,12H2,1-5H3/t13-,14?,15?/m1/s1
InChIKeyORTPHRBRQGVFJW-WLYUNCDWSA-N
MW381.48 g/mol
LogP3.45
Rot. Bonds7

About 1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol

1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol (PubChem CID 90182168) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol
PubChem CID90182168
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol
SMILESCc1ncc(-c2cn(C)nc2C(C)O)c(OC[C@@H](C)C(C)c2ccccn2)n1
InChIInChI=1S/C21H27N5O2/c1-13(14(2)19-8-6-7-9-22-19)12-28-21-17(10-23-16(4)24-21)18-11-26(5)25-20(18)15(3)27/h6-11,13-15,27H,12H2,1-5H3/t13-,14?,15?/m1/s1
InChIKeyORTPHRBRQGVFJW-WLYUNCDWSA-N
XLogP3.45
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol with MolForge

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Related Compounds

(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
1-methyl-3-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazol-4-amine
CID 114094624
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine
CID 71062877
1-(3,5-dimethoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66460720
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-(1-fluoroethyl)pyridine;1-pyridin-2-ylethanol
CID 161183941
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
CID 131933604
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 107525280
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
The IUPAC name of 1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol (CID 90182168) is 1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol.
What is the SMILES notation for 1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
The canonical SMILES for 1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol is Cc1ncc(-c2cn(C)nc2C(C)O)c(OC[C@@H](C)C(C)c2ccccn2)n1.
What is the InChIKey of 1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
The InChIKey is ORTPHRBRQGVFJW-WLYUNCDWSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13(14(2)19-8-6-7-9-22-19)12-28-21-17(10-23-16(4)24-21)18-11-26(5)25-20(18)15(3)27/h6-11,13-15,27H,12H2,1-5H3/t13-,14?,15?/m1/s1.
What are the key properties of 1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol?
1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol has a molecular weight of 381.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-[2-methyl-4-[(2S)-2-methyl-3-pyridin-2-ylbutoxy]pyrimidin-5-yl]pyrazol-3-yl]ethanol is sourced from PubChem (CID 90182168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).