N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C11H10F2N6 — CID 172705734

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESFC(F)Cn1cc(Nc2ncc3cc[nH]c3n2)cn1
InChIInChI=1S/C11H10F2N6/c12-9(13)6-19-5-8(4-16-19)17-11-15-3-7-1-2-14-10(7)18-11/h1-5,9H,6H2,(H2,14,15,17,18)
InChIKeyDOFKTTSAPYUNMC-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.16
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 172705734) has the molecular formula C11H10F2N6 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID172705734
Molecular FormulaC11H10F2N6
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESFC(F)Cn1cc(Nc2ncc3cc[nH]c3n2)cn1
InChIInChI=1S/C11H10F2N6/c12-9(13)6-19-5-8(4-16-19)17-11-15-3-7-1-2-14-10(7)18-11/h1-5,9H,6H2,(H2,14,15,17,18)
InChIKeyDOFKTTSAPYUNMC-UHFFFAOYSA-N
XLogP2.16
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 172705734) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is FC(F)Cn1cc(Nc2ncc3cc[nH]c3n2)cn1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is DOFKTTSAPYUNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N6/c12-9(13)6-19-5-8(4-16-19)17-11-15-3-7-1-2-14-10(7)18-11/h1-5,9H,6H2,(H2,14,15,17,18).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 264.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 172705734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).