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

C16H12F3N5O — CID 129032758

IUPACN-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1nnc(-c2cnc(NC3(c4ccccc4)CC3)nc2)o1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)13-24-23-12(25-13)10-8-20-14(21-9-10)22-15(6-7-15)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,20,21,22)
InChIKeyWVPNPRFAWODGFM-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.65
Rot. Bonds4

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

N-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 129032758) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is N-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
PubChem CID129032758
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC NameN-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1nnc(-c2cnc(NC3(c4ccccc4)CC3)nc2)o1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)13-24-23-12(25-13)10-8-20-14(21-9-10)22-15(6-7-15)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,20,21,22)
InChIKeyWVPNPRFAWODGFM-UHFFFAOYSA-N
XLogP3.65
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 129032758) is N-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is FC(F)(F)c1nnc(-c2cnc(NC3(c4ccccc4)CC3)nc2)o1.
What is the InChIKey of N-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The InChIKey is WVPNPRFAWODGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)13-24-23-12(25-13)10-8-20-14(21-9-10)22-15(6-7-15)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,20,21,22).
What are the key properties of N-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
N-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine has a molecular weight of 347.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclopropyl)-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 129032758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).