4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C21H24F3N5O2 — CID 170196949

IUPAC4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1nc(Nc2ccc([C@H](N3CCOCC3)C(F)(F)F)cc2OC)nc2[nH]ccc12
InChIInChI=1S/C21H24F3N5O2/c1-3-15-14-6-7-25-19(14)28-20(26-15)27-16-5-4-13(12-17(16)30-2)18(21(22,23)24)29-8-10-31-11-9-29/h4-7,12,18H,3,8-11H2,1-2H3,(H2,25,26,27,28)/t18-/m0/s1
InChIKeyRSPHFDOVCRNYQB-SFHVURJKSA-N
MW435.45 g/mol
LogP4.21
Rot. Bonds6

About 4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 170196949) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID170196949
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1nc(Nc2ccc([C@H](N3CCOCC3)C(F)(F)F)cc2OC)nc2[nH]ccc12
InChIInChI=1S/C21H24F3N5O2/c1-3-15-14-6-7-25-19(14)28-20(26-15)27-16-5-4-13(12-17(16)30-2)18(21(22,23)24)29-8-10-31-11-9-29/h4-7,12,18H,3,8-11H2,1-2H3,(H2,25,26,27,28)/t18-/m0/s1
InChIKeyRSPHFDOVCRNYQB-SFHVURJKSA-N
XLogP4.21
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

4-ethoxy-N-[2-methoxy-4-[2,2,2-trifluoro-1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 170197143
4-ethoxy-N-[2-methoxy-4-(1,1,3-trifluoro-2-morpholin-4-ylpropan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175430226
2-N-[4-(5-amino-3-morpholin-4-ylpentyl)-2-methoxyphenyl]-4-N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 166863244
4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 175846558
[3-methoxy-4-[[4-(2-methoxybutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 145138834
4-N-[(2R)-butan-2-yl]-2-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648842
4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 166865553
4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155524460
4-N-(cyclopentylmethyl)-2-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648982
6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 154698198
2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 141303235
1-[(1R)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178506

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 170196949) is 4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCc1nc(Nc2ccc([C@H](N3CCOCC3)C(F)(F)F)cc2OC)nc2[nH]ccc12.
What is the InChIKey of 4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is RSPHFDOVCRNYQB-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-3-15-14-6-7-25-19(14)28-20(26-15)27-16-5-4-13(12-17(16)30-2)18(21(22,23)24)29-8-10-31-11-9-29/h4-7,12,18H,3,8-11H2,1-2H3,(H2,25,26,27,28)/t18-/m0/s1.
What are the key properties of 4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 435.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-methoxy-4-[(1S)-2,2,2-trifluoro-1-morpholin-4-ylethyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 170196949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).