N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine

C16H13F4N5 — CID 71086590

IUPACN-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C16H13F4N5/c1-25-13(6-14(24-25)16(18,19)20)11-8-22-15(23-9-11)21-7-10-4-2-3-5-12(10)17/h2-6,8-9H,7H2,1H3,(H,21,22,23)
InChIKeyWCLROHKKQYMCOA-UHFFFAOYSA-N
MW351.31 g/mol
LogP3.65
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine

N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine (PubChem CID 71086590) has the molecular formula C16H13F4N5 and a molecular weight of 351.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine
PubChem CID71086590
Molecular FormulaC16H13F4N5
Molecular Weight351.31 g/mol
Exact Mass351.11
IUPAC NameN-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C16H13F4N5/c1-25-13(6-14(24-25)16(18,19)20)11-8-22-15(23-9-11)21-7-10-4-2-3-5-12(10)17/h2-6,8-9H,7H2,1H3,(H,21,22,23)
InChIKeyWCLROHKKQYMCOA-UHFFFAOYSA-N
XLogP3.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine (CID 71086590) is N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine is Cn1nc(C(F)(F)F)cc1-c1cnc(NCc2ccccc2F)nc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine?
The InChIKey is WCLROHKKQYMCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N5/c1-25-13(6-14(24-25)16(18,19)20)11-8-22-15(23-9-11)21-7-10-4-2-3-5-12(10)17/h2-6,8-9H,7H2,1H3,(H,21,22,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine?
N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine has a molecular weight of 351.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 71086590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).