(2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine

C21H23N5O2 — CID 162641713

IUPAC(2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine
SMILESc1ccc([C@H]2CN(c3cc(OC4CC(n5cccn5)C4)ncn3)CCO2)cc1
InChIInChI=1S/C21H23N5O2/c1-2-5-16(6-3-1)19-14-25(9-10-27-19)20-13-21(23-15-22-20)28-18-11-17(12-18)26-8-4-7-24-26/h1-8,13,15,17-19H,9-12,14H2/t17?,18?,19-/m1/s1
InChIKeyJXGFJBHPOCYADP-CTWPCTMYSA-N
MW377.45 g/mol
LogP3.03
Rot. Bonds5

About (2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine

(2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine (PubChem CID 162641713) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine
PubChem CID162641713
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine
SMILESc1ccc([C@H]2CN(c3cc(OC4CC(n5cccn5)C4)ncn3)CCO2)cc1
InChIInChI=1S/C21H23N5O2/c1-2-5-16(6-3-1)19-14-25(9-10-27-19)20-13-21(23-15-22-20)28-18-11-17(12-18)26-8-4-7-24-26/h1-8,13,15,17-19H,9-12,14H2/t17?,18?,19-/m1/s1
InChIKeyJXGFJBHPOCYADP-CTWPCTMYSA-N
XLogP3.03
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine
CID 166628894
4-[6-[3-(5-Methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine
CID 166631388
(2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine
CID 166634181
(2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine
CID 166635453
3-Fluoro-14-methyl-7-oxa-10,14,18,19,22-pentazapentacyclo[13.5.2.210,13.12,6.018,21]pentacosa-1(21),2,4,6(25),15(22),16,19-heptaene
CID 118975168
6-(4-(2-(Piperidin-1-yl)ethoxy)phenyl)pyrazolo[1,5-a]pyrimidine
CID 44577719
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methoxypyridine
CID 118430684
4-(1-Methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine
CID 70702024
2,5-Dimethyl-3-phenyl-7-(2-pyridylmethoxy)pyrazolo[1,5-a]pyrimidine
CID 122193198
(2R)-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-phenylmorpholine
CID 31258930
5-Fluoro-2-[1-[6-[2-(1-methylpyrazol-4-yl)phenoxy]pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
CID 59744043
2-[4-[2-(Fluoromethyl)phenoxy]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidine
CID 70966400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine?
The IUPAC name of (2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine (CID 162641713) is (2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine.
What is the SMILES notation for (2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine?
The canonical SMILES for (2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine is c1ccc([C@H]2CN(c3cc(OC4CC(n5cccn5)C4)ncn3)CCO2)cc1.
What is the InChIKey of (2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine?
The InChIKey is JXGFJBHPOCYADP-CTWPCTMYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-5-16(6-3-1)19-14-25(9-10-27-19)20-13-21(23-15-22-20)28-18-11-17(12-18)26-8-4-7-24-26/h1-8,13,15,17-19H,9-12,14H2/t17?,18?,19-/m1/s1.
What are the key properties of (2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine?
(2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine has a molecular weight of 377.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine is sourced from PubChem (CID 162641713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).