N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C16H13F3N6O — CID 133497972

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2nnc(C3CC3)o2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H13F3N6O/c17-16(18,19)11-7-12(23-14(22-11)9-3-5-20-6-4-9)21-8-13-24-25-15(26-13)10-1-2-10/h3-7,10H,1-2,8H2,(H,21,22,23)
InChIKeyBPXJUIXSPUSNFA-UHFFFAOYSA-N
MW362.32 g/mol
LogP3.43
Rot. Bonds5

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133497972) has the molecular formula C16H13F3N6O and a molecular weight of 362.32 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133497972
Molecular FormulaC16H13F3N6O
Molecular Weight362.32 g/mol
Exact Mass362.11
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2nnc(C3CC3)o2)nc(-c2ccncc2)n1
InChIInChI=1S/C16H13F3N6O/c17-16(18,19)11-7-12(23-14(22-11)9-3-5-20-6-4-9)21-8-13-24-25-15(26-13)10-1-2-10/h3-7,10H,1-2,8H2,(H,21,22,23)
InChIKeyBPXJUIXSPUSNFA-UHFFFAOYSA-N
XLogP3.43
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133318458
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 167765215
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133385618
N-cyclopent-3-en-1-yl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362287
N-[2-(5-bromofuran-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133375052
N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 133317467
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133318334
N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133328250
N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133440386
(1R)-1-(2,6-difluorophenyl)-2-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 100625958
N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133381144
4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133329913

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133497972) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NCc2nnc(C3CC3)o2)nc(-c2ccncc2)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BPXJUIXSPUSNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O/c17-16(18,19)11-7-12(23-14(22-11)9-3-5-20-6-4-9)21-8-13-24-25-15(26-13)10-1-2-10/h3-7,10H,1-2,8H2,(H,21,22,23).
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 362.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133497972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).