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

C20H21F4N5O2 — CID 170197148

IUPAC4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2ccc(C(N3CCOCC3)C(F)(F)F)cc2F)nc2[nH]ccc12
InChIInChI=1S/C20H21F4N5O2/c1-2-31-18-13-5-6-25-17(13)27-19(28-18)26-15-4-3-12(11-14(15)21)16(20(22,23)24)29-7-9-30-10-8-29/h3-6,11,16H,2,7-10H2,1H3,(H2,25,26,27,28)
InChIKeyZDOADHDRFMNGNO-UHFFFAOYSA-N
MW439.41 g/mol
LogP4.17
Rot. Bonds6

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

4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 170197148) has the molecular formula C20H21F4N5O2 and a molecular weight of 439.41 g/mol. Its IUPAC name is 4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID170197148
Molecular FormulaC20H21F4N5O2
Molecular Weight439.41 g/mol
Exact Mass439.16
IUPAC Name4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2ccc(C(N3CCOCC3)C(F)(F)F)cc2F)nc2[nH]ccc12
InChIInChI=1S/C20H21F4N5O2/c1-2-31-18-13-5-6-25-17(13)27-19(28-18)26-15-4-3-12(11-14(15)21)16(20(22,23)24)29-7-9-30-10-8-29/h3-6,11,16H,2,7-10H2,1H3,(H2,25,26,27,28)
InChIKeyZDOADHDRFMNGNO-UHFFFAOYSA-N
XLogP4.17
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-N-[2-fluoro-4-(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

Plx-5622
CID 52936034
6-Chloro-N4-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,4-pyrimidinediamine
CID 11524200
Meriolin 5
CID 23727982
Type II inhibitor, 5
CID 16061468
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(morpholin-4-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646062
Meriolin 6
CID 24801185
Meriolin 4
CID 24801697
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
3-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-[(4-fluorophenyl)methyl]urea (2)
CID 121225767
Meriolin 7
CID 24801186
(2S)-2-[[6-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162651768
2-(4-Fluoro-phenyl)-4-(3-methoxy-benzyloxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-ylamine
CID 10789231

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 170197148) is 4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCOc1nc(Nc2ccc(C(N3CCOCC3)C(F)(F)F)cc2F)nc2[nH]ccc12.
What is the InChIKey of 4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ZDOADHDRFMNGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N5O2/c1-2-31-18-13-5-6-25-17(13)27-19(28-18)26-15-4-3-12(11-14(15)21)16(20(22,23)24)29-7-9-30-10-8-29/h3-6,11,16H,2,7-10H2,1H3,(H2,25,26,27,28).
What are the key properties of 4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 439.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-fluoro-4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 170197148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).