N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine

C17H11F5N4 — CID 90314961

IUPACN-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2cc(-c3cncc(C(F)(F)F)c3)ncn2)c(F)c1
InChIInChI=1S/C17H11F5N4/c18-13-2-1-10(14(19)4-13)7-24-16-5-15(25-9-26-16)11-3-12(8-23-6-11)17(20,21)22/h1-6,8-9H,7H2,(H,24,25,26)
InChIKeyTYBCPRYWBVEYEQ-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.45
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine

N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 90314961) has the molecular formula C17H11F5N4 and a molecular weight of 366.29 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID90314961
Molecular FormulaC17H11F5N4
Molecular Weight366.29 g/mol
Exact Mass366.09
IUPAC NameN-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2cc(-c3cncc(C(F)(F)F)c3)ncn2)c(F)c1
InChIInChI=1S/C17H11F5N4/c18-13-2-1-10(14(19)4-13)7-24-16-5-15(25-9-26-16)11-3-12(8-23-6-11)17(20,21)22/h1-6,8-9H,7H2,(H,24,25,26)
InChIKeyTYBCPRYWBVEYEQ-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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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 90314766
6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 71185926
6-[(2,4-difluorophenyl)methylamino]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methylurea
CID 71186154
N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 90328468
N-[5-[6-[(2,4-difluorophenyl)methylamino]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]-5-oxopentyl]acetamide
CID 159334303
6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 71204103
6-[(2,4-difluorophenyl)methylamino]-N-(2-pyridin-3-ylethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 71204123
3-[1-[6-[(2,4-difluorophenyl)methylamino]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]ethenylamino]-1-morpholin-4-ylpropan-1-one
CID 144502053
1-[6-[(2,4-difluorophenyl)methylamino]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]piperidine-4-carboxamide;ethane
CID 144502049
6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine
CID 62047650
N-(3-amino-3-oxopropyl)-6-[2-(2,4-difluorophenyl)ethyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 159515689
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (CID 90314961) is N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is Fc1ccc(CNc2cc(-c3cncc(C(F)(F)F)c3)ncn2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is TYBCPRYWBVEYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N4/c18-13-2-1-10(14(19)4-13)7-24-16-5-15(25-9-26-16)11-3-12(8-23-6-11)17(20,21)22/h1-6,8-9H,7H2,(H,24,25,26).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
N-[(2,4-difluorophenyl)methyl]-6-[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-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 90314961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).