N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine

C17H11F5N4 — CID 90328468

IUPACN-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESFc1ccc(F)c(CNc2ccnc(-c3cncc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C17H11F5N4/c18-13-1-2-14(19)10(6-13)8-25-15-3-4-24-16(26-15)11-5-12(9-23-7-11)17(20,21)22/h1-7,9H,8H2,(H,24,25,26)
InChIKeyNVEWFCTXVZTFJV-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.45
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine

N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 90328468) has the molecular formula C17H11F5N4 and a molecular weight of 366.29 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID90328468
Molecular FormulaC17H11F5N4
Molecular Weight366.29 g/mol
Exact Mass366.09
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESFc1ccc(F)c(CNc2ccnc(-c3cncc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C17H11F5N4/c18-13-1-2-14(19)10(6-13)8-25-15-3-4-24-16(26-15)11-5-12(9-23-7-11)17(20,21)22/h1-7,9H,8H2,(H,24,25,26)
InChIKeyNVEWFCTXVZTFJV-UHFFFAOYSA-N
XLogP4.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (CID 90328468) is N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is Fc1ccc(F)c(CNc2ccnc(-c3cncc(C(F)(F)F)c3)n2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is NVEWFCTXVZTFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N4/c18-13-1-2-14(19)10(6-13)8-25-15-3-4-24-16(26-15)11-5-12(9-23-7-11)17(20,21)22/h1-7,9H,8H2,(H,24,25,26).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 366.29 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 90328468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).