N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine

C11H13F2N5O — CID 133485443

IUPACN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(Nc2ccn(CC(F)F)n2)ncn1
InChIInChI=1S/C11H13F2N5O/c1-2-19-11-5-10(14-7-15-11)16-9-3-4-18(17-9)6-8(12)13/h3-5,7-8H,2,6H2,1H3,(H,14,15,16,17)
InChIKeyAOYIIOWRCGNSCB-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.08
Rot. Bonds6

About N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine

N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine (PubChem CID 133485443) has the molecular formula C11H13F2N5O and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine
PubChem CID133485443
Molecular FormulaC11H13F2N5O
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(Nc2ccn(CC(F)F)n2)ncn1
InChIInChI=1S/C11H13F2N5O/c1-2-19-11-5-10(14-7-15-11)16-9-3-4-18(17-9)6-8(12)13/h3-5,7-8H,2,6H2,1H3,(H,14,15,16,17)
InChIKeyAOYIIOWRCGNSCB-UHFFFAOYSA-N
XLogP2.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine (CID 133485443) is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine is CCOc1cc(Nc2ccn(CC(F)F)n2)ncn1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine?
The InChIKey is AOYIIOWRCGNSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O/c1-2-19-11-5-10(14-7-15-11)16-9-3-4-18(17-9)6-8(12)13/h3-5,7-8H,2,6H2,1H3,(H,14,15,16,17).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine?
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine has a molecular weight of 269.26 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 133485443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).