4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C20H20FN5O2 — CID 24875660

IUPAC4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCc1cc(F)ccc1-c1nc(OCCN2CCOCC2)nc2[nH]cc(C#N)c12
InChIInChI=1S/C20H20FN5O2/c1-13-10-15(21)2-3-16(13)18-17-14(11-22)12-23-19(17)25-20(24-18)28-9-6-26-4-7-27-8-5-26/h2-3,10,12H,4-9H2,1H3,(H,23,24,25)
InChIKeyYRBIVCMLTKLMBE-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.66
Rot. Bonds5

About 4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 24875660) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID24875660
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCc1cc(F)ccc1-c1nc(OCCN2CCOCC2)nc2[nH]cc(C#N)c12
InChIInChI=1S/C20H20FN5O2/c1-13-10-15(21)2-3-16(13)18-17-14(11-22)12-23-19(17)25-20(24-18)28-9-6-26-4-7-27-8-5-26/h2-3,10,12H,4-9H2,1H3,(H,23,24,25)
InChIKeyYRBIVCMLTKLMBE-UHFFFAOYSA-N
XLogP2.66
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluoro-2-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 24875661
4-(2-chloro-4,5-dimethoxyphenyl)-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethoxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 24875940
4-(2-chloro-4,5-dimethoxyphenyl)-2-[2-(3-fluoropiperidin-1-yl)ethoxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 68921690
5-chloro-4-[2-[2-(3-fluoropiperidin-1-yl)ethoxy]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methoxybenzonitrile
CID 163850174
4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine
CID 173296855
N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 73203161
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile
CID 133317226
ethane;6-N-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333478
2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
CID 134434852
4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile
CID 122539801
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 24875660) is 4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is Cc1cc(F)ccc1-c1nc(OCCN2CCOCC2)nc2[nH]cc(C#N)c12.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is YRBIVCMLTKLMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-13-10-15(21)2-3-16(13)18-17-14(11-22)12-23-19(17)25-20(24-18)28-9-6-26-4-7-27-8-5-26/h2-3,10,12H,4-9H2,1H3,(H,23,24,25).
What are the key properties of 4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 381.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 24875660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).