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

C14H19FN4O — CID 123271157

IUPACN-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine
SMILESCCNC1CCC(Oc2ncnc3[nH]cc(F)c23)CC1
InChIInChI=1S/C14H19FN4O/c1-2-16-9-3-5-10(6-4-9)20-14-12-11(15)7-17-13(12)18-8-19-14/h7-10,16H,2-6H2,1H3,(H,17,18,19)
InChIKeyZBBAGWUKIYYKAS-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.40
Rot. Bonds4

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

N-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine (PubChem CID 123271157) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine
PubChem CID123271157
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine
SMILESCCNC1CCC(Oc2ncnc3[nH]cc(F)c23)CC1
InChIInChI=1S/C14H19FN4O/c1-2-16-9-3-5-10(6-4-9)20-14-12-11(15)7-17-13(12)18-8-19-14/h7-10,16H,2-6H2,1H3,(H,17,18,19)
InChIKeyZBBAGWUKIYYKAS-UHFFFAOYSA-N
XLogP2.40
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]cyclohexan-1-amine
CID 137661767
4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine;hydrochloride
CID 156020530
(E)-3-[4-(4,4-difluorocyclohexyl)oxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enamide
CID 73051907
4-isobutoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118236986
2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118708943
2-amino-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118708944
4-(cyclohexylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 137634431
(1S,4S)-5-[4-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 145963795
4-[4-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine
CID 145965954
(2S)-2-methyl-4-[4-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine
CID 145972784
(2R)-2-methyl-4-[4-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]morpholine
CID 145976048
(1R,4R)-5-[4-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 145978494

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine (CID 123271157) is N-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine is CCNC1CCC(Oc2ncnc3[nH]cc(F)c23)CC1.
What is the InChIKey of N-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine?
The InChIKey is ZBBAGWUKIYYKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-2-16-9-3-5-10(6-4-9)20-14-12-11(15)7-17-13(12)18-8-19-14/h7-10,16H,2-6H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine?
N-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine has a molecular weight of 278.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 123271157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).