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

C11H10F3N5O — CID 133497983

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2nnc(C3CC3)o2)n1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)7-3-4-15-10(17-7)16-5-8-18-19-9(20-8)6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16,17)
InChIKeyHGNKOOXJCIWMHB-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.37
Rot. Bonds4

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

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 133497983) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID133497983
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2nnc(C3CC3)o2)n1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)7-3-4-15-10(17-7)16-5-8-18-19-9(20-8)6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16,17)
InChIKeyHGNKOOXJCIWMHB-UHFFFAOYSA-N
XLogP2.37
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889763
N-cyclopropyl-N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890934
2-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133497999
N-[[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 137870698
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 155823144
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 155941718
2-{4-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl}-4-(trifluoromethyl)pyrimidine
CID 163351072
4-Methyl-2-(4-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)pyrimidine
CID 163352665
N-cyclopropyl-N-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl}-4-(trifluoromethyl)pyrimidin-2-amine
CID 171994568
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-amine
CID 171995728
N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl}-4-(trifluoromethyl)pyrimidin-2-amine
CID 172007850
N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl}-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 172009399

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 133497983) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCc2nnc(C3CC3)o2)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HGNKOOXJCIWMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c12-11(13,14)7-3-4-15-10(17-7)16-5-8-18-19-9(20-8)6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16,17).
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 285.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 133497983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).