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

C17H11ClF4N4 — CID 90314766

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESFc1cc(Cl)ccc1CNc1cc(-c2cncc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C17H11ClF4N4/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)
InChIKeyFXMJGKUMJRIFFT-UHFFFAOYSA-N
MW382.75 g/mol
LogP4.96
Rot. Bonds4

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

N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 90314766) has the molecular formula C17H11ClF4N4 and a molecular weight of 382.75 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID90314766
Molecular FormulaC17H11ClF4N4
Molecular Weight382.75 g/mol
Exact Mass382.06
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
SMILESFc1cc(Cl)ccc1CNc1cc(-c2cncc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C17H11ClF4N4/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)
InChIKeyFXMJGKUMJRIFFT-UHFFFAOYSA-N
XLogP4.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.75
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine (CID 90314766) is N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is Fc1cc(Cl)ccc1CNc1cc(-c2cncc(C(F)(F)F)c2)ncn1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is FXMJGKUMJRIFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N4/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-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine?
N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 382.75 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 90314766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).