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

C20H20FN7 — CID 134439990

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3c(C)nn(-c4ccc(F)cc4)c3C)ncn2)n1
InChIInChI=1S/C20H20FN7/c1-12-9-13(2)27(25-12)19-10-18(22-11-23-19)24-20-14(3)26-28(15(20)4)17-7-5-16(21)6-8-17/h5-11H,1-4H3,(H,22,23,24)
InChIKeyNBIICTHOAZMMRS-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.96
Rot. Bonds4

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

6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine (PubChem CID 134439990) 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-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
PubChem CID134439990
Molecular FormulaC20H20FN7
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3c(C)nn(-c4ccc(F)cc4)c3C)ncn2)n1
InChIInChI=1S/C20H20FN7/c1-12-9-13(2)27(25-12)19-10-18(22-11-23-19)24-20-14(3)26-28(15(20)4)17-7-5-16(21)6-8-17/h5-11H,1-4H3,(H,22,23,24)
InChIKeyNBIICTHOAZMMRS-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine (CID 134439990) is 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine is Cc1cc(C)n(-c2cc(Nc3c(C)nn(-c4ccc(F)cc4)c3C)ncn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is NBIICTHOAZMMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7/c1-12-9-13(2)27(25-12)19-10-18(22-11-23-19)24-20-14(3)26-28(15(20)4)17-7-5-16(21)6-8-17/h5-11H,1-4H3,(H,22,23,24).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 377.43 g/mol, XLogP of 3.96, 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-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 134439990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).