N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C20H25F3N4O — CID 133440386

IUPACN-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(CC)C1CC(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CCO1
InChIInChI=1S/C20H25F3N4O/c1-3-13(4-2)16-11-15(7-10-28-16)25-18-12-17(20(21,22)23)26-19(27-18)14-5-8-24-9-6-14/h5-6,8-9,12-13,15-16H,3-4,7,10-11H2,1-2H3,(H,25,26,27)
InChIKeyORVBCZNONNEPFF-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.95
Rot. Bonds6

About N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133440386) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133440386
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC NameN-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(CC)C1CC(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CCO1
InChIInChI=1S/C20H25F3N4O/c1-3-13(4-2)16-11-15(7-10-28-16)25-18-12-17(20(21,22)23)26-19(27-18)14-5-8-24-9-6-14/h5-6,8-9,12-13,15-16H,3-4,7,10-11H2,1-2H3,(H,25,26,27)
InChIKeyORVBCZNONNEPFF-UHFFFAOYSA-N
XLogP4.95
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133440410
N-(3-ethylsulfinylcyclohexyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133337979
N-cyclopent-3-en-1-yl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362287
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
CID 99781873
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133386525
1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366559
N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133381144
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407
6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440404
5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine
CID 133461855
N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133328250

Frequently Asked Questions

What is the IUPAC name of N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133440386) is N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is CCC(CC)C1CC(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CCO1.
What is the InChIKey of N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ORVBCZNONNEPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-3-13(4-2)16-11-15(7-10-28-16)25-18-12-17(20(21,22)23)26-19(27-18)14-5-8-24-9-6-14/h5-6,8-9,12-13,15-16H,3-4,7,10-11H2,1-2H3,(H,25,26,27).
What are the key properties of N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 394.44 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133440386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).