N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine

C10H11F2N5 — CID 133304650

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(Nc2cnn(CC(F)F)c2)n1
InChIInChI=1S/C10H11F2N5/c1-7-2-3-13-10(15-7)16-8-4-14-17(5-8)6-9(11)12/h2-5,9H,6H2,1H3,(H,13,15,16)
InChIKeyRIACNSAGJSLELS-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.99
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine (PubChem CID 133304650) has the molecular formula C10H11F2N5 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine
PubChem CID133304650
Molecular FormulaC10H11F2N5
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(Nc2cnn(CC(F)F)c2)n1
InChIInChI=1S/C10H11F2N5/c1-7-2-3-13-10(15-7)16-8-4-14-17(5-8)6-9(11)12/h2-5,9H,6H2,1H3,(H,13,15,16)
InChIKeyRIACNSAGJSLELS-UHFFFAOYSA-N
XLogP1.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
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]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine (CID 133304650) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine is Cc1ccnc(Nc2cnn(CC(F)F)c2)n1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine?
The InChIKey is RIACNSAGJSLELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5/c1-7-2-3-13-10(15-7)16-8-4-14-17(5-8)6-9(11)12/h2-5,9H,6H2,1H3,(H,13,15,16).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine has a molecular weight of 239.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 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]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133304650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).