1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine

C9H10ClFN6 — CID 87513922

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine
SMILESCN(C)c1cc(N)nn1-c1nc(Cl)ncc1F
InChIInChI=1S/C9H10ClFN6/c1-16(2)7-3-6(12)15-17(7)8-5(11)4-13-9(10)14-8/h3-4H,1-2H3,(H2,12,15)
InChIKeyOQYPYRFDXSLGHG-UHFFFAOYSA-N
MW256.67 g/mol
LogP1.10
Rot. Bonds2

About 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine

1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine (PubChem CID 87513922) has the molecular formula C9H10ClFN6 and a molecular weight of 256.67 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine
PubChem CID87513922
Molecular FormulaC9H10ClFN6
Molecular Weight256.67 g/mol
Exact Mass256.06
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine
SMILESCN(C)c1cc(N)nn1-c1nc(Cl)ncc1F
InChIInChI=1S/C9H10ClFN6/c1-16(2)7-3-6(12)15-17(7)8-5(11)4-13-9(10)14-8/h3-4H,1-2H3,(H2,12,15)
InChIKeyOQYPYRFDXSLGHG-UHFFFAOYSA-N
XLogP1.10
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine (CID 87513922) is 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine is CN(C)c1cc(N)nn1-c1nc(Cl)ncc1F.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine?
The InChIKey is OQYPYRFDXSLGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN6/c1-16(2)7-3-6(12)15-17(7)8-5(11)4-13-9(10)14-8/h3-4H,1-2H3,(H2,12,15).
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine?
1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine has a molecular weight of 256.67 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine is sourced from PubChem (CID 87513922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).