N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine

C16H15F5N4 — CID 138496101

IUPACN-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESC=C(CC(C)(F)F)Nc1cnc(-c2cncc(C)c2)nc1C(F)(F)F
InChIInChI=1S/C16H15F5N4/c1-9-4-11(7-22-6-9)14-23-8-12(13(25-14)16(19,20)21)24-10(2)5-15(3,17)18/h4,6-8,24H,2,5H2,1,3H3
InChIKeyHXFSPAXWURGZOZ-UHFFFAOYSA-N
MW358.31 g/mol
LogP4.84
Rot. Bonds5

About N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine

N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 138496101) has the molecular formula C16H15F5N4 and a molecular weight of 358.31 g/mol. Its IUPAC name is N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
PubChem CID138496101
Molecular FormulaC16H15F5N4
Molecular Weight358.31 g/mol
Exact Mass358.12
IUPAC NameN-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESC=C(CC(C)(F)F)Nc1cnc(-c2cncc(C)c2)nc1C(F)(F)F
InChIInChI=1S/C16H15F5N4/c1-9-4-11(7-22-6-9)14-23-8-12(13(25-14)16(19,20)21)24-10(2)5-15(3,17)18/h4,6-8,24H,2,5H2,1,3H3
InChIKeyHXFSPAXWURGZOZ-UHFFFAOYSA-N
XLogP4.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 138499882
3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide
CID 142547382
N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide
CID 138496142
tert-butyl N-[2-pyrimidin-5-yl-4-(trifluoromethyl)pyrimidin-5-yl]carbamate
CID 138502896
tert-butyl N-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbamate;tert-butyl N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]carbamate
CID 159776807
N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 145373033
2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid
CID 177164317
N-ethyl-6-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716835
2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 158941388
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
4-(5-methyl-3-pyridinyl)-N-propylpyrimidin-2-amine
CID 115375546
N-ethyl-4-methyl-6-(5-methyl-3-pyridinyl)pyrimidin-2-amine
CID 113297377

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine (CID 138496101) is N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine is C=C(CC(C)(F)F)Nc1cnc(-c2cncc(C)c2)nc1C(F)(F)F.
What is the InChIKey of N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is HXFSPAXWURGZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5N4/c1-9-4-11(7-22-6-9)14-23-8-12(13(25-14)16(19,20)21)24-10(2)5-15(3,17)18/h4,6-8,24H,2,5H2,1,3H3.
What are the key properties of N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 358.31 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 138496101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).