2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C17H13F4N5 — CID 71204134

IUPAC2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESNc1ncccc1-c1nccc(NCc2ccc(F)cc2C(F)(F)F)n1
InChIInChI=1S/C17H13F4N5/c18-11-4-3-10(13(8-11)17(19,20)21)9-25-14-5-7-24-16(26-14)12-2-1-6-23-15(12)22/h1-8H,9H2,(H2,22,23)(H,24,25,26)
InChIKeyFCVBAFMJLRKHNX-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 71204134) has the molecular formula C17H13F4N5 and a molecular weight of 363.32 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID71204134
Molecular FormulaC17H13F4N5
Molecular Weight363.32 g/mol
Exact Mass363.11
IUPAC Name2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESNc1ncccc1-c1nccc(NCc2ccc(F)cc2C(F)(F)F)n1
InChIInChI=1S/C17H13F4N5/c18-11-4-3-10(13(8-11)17(19,20)21)9-25-14-5-7-24-16(26-14)12-2-1-6-23-15(12)22/h1-8H,9H2,(H2,22,23)(H,24,25,26)
InChIKeyFCVBAFMJLRKHNX-UHFFFAOYSA-N
XLogP3.89
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 71204134) is 2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is Nc1ncccc1-c1nccc(NCc2ccc(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is FCVBAFMJLRKHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N5/c18-11-4-3-10(13(8-11)17(19,20)21)9-25-14-5-7-24-16(26-14)12-2-1-6-23-15(12)22/h1-8H,9H2,(H2,22,23)(H,24,25,26).
What are the key properties of 2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 363.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 71204134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).