5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C19H14ClF2N5O — CID 126551068

IUPAC5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1[nH]c2nc(Nc3cccnc3)nc(Oc3ccc(F)cc3F)c2c1Cl
InChIInChI=1S/C19H14ClF2N5O/c1-2-13-16(20)15-17(25-13)26-19(24-11-4-3-7-23-9-11)27-18(15)28-14-6-5-10(21)8-12(14)22/h3-9H,2H2,1H3,(H2,24,25,26,27)
InChIKeyHCUMREYFVODYTE-UHFFFAOYSA-N
MW401.80 g/mol
LogP5.38
Rot. Bonds5

About 5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 126551068) has the molecular formula C19H14ClF2N5O and a molecular weight of 401.80 g/mol. Its IUPAC name is 5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID126551068
Molecular FormulaC19H14ClF2N5O
Molecular Weight401.80 g/mol
Exact Mass401.09
IUPAC Name5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1[nH]c2nc(Nc3cccnc3)nc(Oc3ccc(F)cc3F)c2c1Cl
InChIInChI=1S/C19H14ClF2N5O/c1-2-13-16(20)15-17(25-13)26-19(24-11-4-3-7-23-9-11)27-18(15)28-14-6-5-10(21)8-12(14)22/h3-9H,2H2,1H3,(H2,24,25,26,27)
InChIKeyHCUMREYFVODYTE-UHFFFAOYSA-N
XLogP5.38
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.80
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 126551068) is 5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCc1[nH]c2nc(Nc3cccnc3)nc(Oc3ccc(F)cc3F)c2c1Cl.
What is the InChIKey of 5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is HCUMREYFVODYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5O/c1-2-13-16(20)15-17(25-13)26-19(24-11-4-3-7-23-9-11)27-18(15)28-14-6-5-10(21)8-12(14)22/h3-9H,2H2,1H3,(H2,24,25,26,27).
What are the key properties of 5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 401.80 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,4-difluorophenoxy)-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 126551068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).