4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine

C14H19FN4O — CID 72945947

IUPAC4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ncnc3[nH]cc(F)c23)CC1
InChIInChI=1S/C14H19FN4O/c1-19(2)9-3-5-10(6-4-9)20-14-12-11(15)7-16-13(12)17-8-18-14/h7-10H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyFELSYYOZRWLIMA-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.35
Rot. Bonds3

About 4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine

4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine (PubChem CID 72945947) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine
PubChem CID72945947
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ncnc3[nH]cc(F)c23)CC1
InChIInChI=1S/C14H19FN4O/c1-19(2)9-3-5-10(6-4-9)20-14-12-11(15)7-16-13(12)17-8-18-14/h7-10H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyFELSYYOZRWLIMA-UHFFFAOYSA-N
XLogP2.35
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine (CID 72945947) is 4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine is CN(C)C1CCC(Oc2ncnc3[nH]cc(F)c23)CC1.
What is the InChIKey of 4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is FELSYYOZRWLIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-19(2)9-3-5-10(6-4-9)20-14-12-11(15)7-16-13(12)17-8-18-14/h7-10H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine?
4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 278.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 72945947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).