4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine

C23H24N6O2 — CID 121347774

IUPAC4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(OCC4(C)COC4)n3)c2)cn1
InChIInChI=1S/C23H24N6O2/c1-23(13-30-14-23)15-31-22-20(19-9-26-29(3)12-19)10-24-21(27-22)17-6-4-5-16(7-17)18-8-25-28(2)11-18/h4-12H,13-15H2,1-3H3
InChIKeyJFRAUNNPKQTZOA-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.36
Rot. Bonds6

About 4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine

4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine (PubChem CID 121347774) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine
PubChem CID121347774
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(OCC4(C)COC4)n3)c2)cn1
InChIInChI=1S/C23H24N6O2/c1-23(13-30-14-23)15-31-22-20(19-9-26-29(3)12-19)10-24-21(27-22)17-6-4-5-16(7-17)18-8-25-28(2)11-18/h4-12H,13-15H2,1-3H3
InChIKeyJFRAUNNPKQTZOA-UHFFFAOYSA-N
XLogP3.36
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;hydrochloride
CID 155661131
fluorocyclohexane;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 145086747
N-[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357917
N-[(3,3-difluorocyclobutyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357744
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 121347892
4-[3-[(3aR,4S,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]propyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine
CID 146245531
2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethanone
CID 72944544
1-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]but-3-ene-1,3-diamine
CID 135243598
N-[(3aR,4S,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121347728
4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 121357847
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(2S,7R)-8-oxabicyclo[5.1.0]octan-2-yl]pyrimidin-4-amine
CID 121357976
N-[(2-aminocyclopentyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121347814

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine?
The IUPAC name of 4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine (CID 121347774) is 4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine.
What is the SMILES notation for 4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine?
The canonical SMILES for 4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(OCC4(C)COC4)n3)c2)cn1.
What is the InChIKey of 4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine?
The InChIKey is JFRAUNNPKQTZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-23(13-30-14-23)15-31-22-20(19-9-26-29(3)12-19)10-24-21(27-22)17-6-4-5-16(7-17)18-8-25-28(2)11-18/h4-12H,13-15H2,1-3H3.
What are the key properties of 4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine?
4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine has a molecular weight of 416.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyloxetan-3-yl)methoxy]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine is sourced from PubChem (CID 121347774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).