N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

C19H18F3N5O — CID 154941009

IUPACN-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFc1ccc(C(Nc2ncc(-c3nnc(C(F)F)o3)cn2)C2CCCC2)cc1
InChIInChI=1S/C19H18F3N5O/c20-14-7-5-12(6-8-14)15(11-3-1-2-4-11)25-19-23-9-13(10-24-19)17-26-27-18(28-17)16(21)22/h5-11,15-16H,1-4H2,(H,23,24,25)
InChIKeyYOGZEAZZYZYFBI-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.95
Rot. Bonds6

About N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 154941009) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
PubChem CID154941009
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC NameN-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFc1ccc(C(Nc2ncc(-c3nnc(C(F)F)o3)cn2)C2CCCC2)cc1
InChIInChI=1S/C19H18F3N5O/c20-14-7-5-12(6-8-14)15(11-3-1-2-4-11)25-19-23-9-13(10-24-19)17-26-27-18(28-17)16(21)22/h5-11,15-16H,1-4H2,(H,23,24,25)
InChIKeyYOGZEAZZYZYFBI-UHFFFAOYSA-N
XLogP4.95
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 154941009) is N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is Fc1ccc(C(Nc2ncc(-c3nnc(C(F)F)o3)cn2)C2CCCC2)cc1.
What is the InChIKey of N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The InChIKey is YOGZEAZZYZYFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c20-14-7-5-12(6-8-14)15(11-3-1-2-4-11)25-19-23-9-13(10-24-19)17-26-27-18(28-17)16(21)22/h5-11,15-16H,1-4H2,(H,23,24,25).
What are the key properties of N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine has a molecular weight of 389.38 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 154941009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).