6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine

C20H20FN7 — CID 134440034

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3nn(C)c(-c4ccc(F)cc4)c3C)ncn2)n1
InChIInChI=1S/C20H20FN7/c1-12-9-13(2)28(25-12)18-10-17(22-11-23-18)24-20-14(3)19(27(4)26-20)15-5-7-16(21)8-6-15/h5-11H,1-4H3,(H,22,23,24,26)
InChIKeyGSOLEGPBYLTEBY-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.87
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine (PubChem CID 134440034) has the molecular formula C20H20FN7 and a molecular weight of 377.43 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine
PubChem CID134440034
Molecular FormulaC20H20FN7
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3nn(C)c(-c4ccc(F)cc4)c3C)ncn2)n1
InChIInChI=1S/C20H20FN7/c1-12-9-13(2)28(25-12)18-10-17(22-11-23-18)24-20-14(3)19(27(4)26-20)15-5-7-16(21)8-6-15/h5-11H,1-4H3,(H,22,23,24,26)
InChIKeyGSOLEGPBYLTEBY-UHFFFAOYSA-N
XLogP3.87
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine (CID 134440034) is 6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine is Cc1cc(C)n(-c2cc(Nc3nn(C)c(-c4ccc(F)cc4)c3C)ncn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is GSOLEGPBYLTEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7/c1-12-9-13(2)28(25-12)18-10-17(22-11-23-18)24-20-14(3)19(27(4)26-20)15-5-7-16(21)8-6-15/h5-11H,1-4H3,(H,22,23,24,26).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 377.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 134440034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).