Skip to content

4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine

C23H23FN6 — CID 53232747

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2ncc(F)c(-n3cc(CNc4ccccc4)c(C)n3)n2)c1
InChIInChI=1S/C23H23FN6/c1-15-9-16(2)11-20(10-15)27-23-26-13-21(24)22(28-23)30-14-18(17(3)29-30)12-25-19-7-5-4-6-8-19/h4-11,13-14,25H,12H2,1-3H3,(H,26,27,28)
InChIKeyNMHHMIMJUXQMAW-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.08
Rot. Bonds6

About 4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine

4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine (PubChem CID 53232747) has the molecular formula C23H23FN6 and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine
PubChem CID53232747
Molecular FormulaC23H23FN6
Molecular Weight402.48 g/mol
Exact Mass402.20
IUPAC Name4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2ncc(F)c(-n3cc(CNc4ccccc4)c(C)n3)n2)c1
InChIInChI=1S/C23H23FN6/c1-15-9-16(2)11-20(10-15)27-23-26-13-21(24)22(28-23)30-14-18(17(3)29-30)12-25-19-7-5-4-6-8-19/h4-11,13-14,25H,12H2,1-3H3,(H,26,27,28)
InChIKeyNMHHMIMJUXQMAW-UHFFFAOYSA-N
XLogP5.08
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-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 4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine (CID 53232747) is 4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine is Cc1cc(C)cc(Nc2ncc(F)c(-n3cc(CNc4ccccc4)c(C)n3)n2)c1.
What is the InChIKey of 4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine?
The InChIKey is NMHHMIMJUXQMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6/c1-15-9-16(2)11-20(10-15)27-23-26-13-21(24)22(28-23)30-14-18(17(3)29-30)12-25-19-7-5-4-6-8-19/h4-11,13-14,25H,12H2,1-3H3,(H,26,27,28).
What are the key properties of 4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine?
4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine has a molecular weight of 402.48 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(anilinomethyl)-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 53232747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.