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

C16H12ClF2N5O — CID 129033037

IUPACN-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFC(F)c1nnc(-c2cnc(NC3(c4cccc(Cl)c4)CC3)nc2)o1
InChIInChI=1S/C16H12ClF2N5O/c17-11-3-1-2-10(6-11)16(4-5-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-3,6-8,12H,4-5H2,(H,20,21,22)
InChIKeyCAJWCPZUGRFFII-UHFFFAOYSA-N
MW363.76 g/mol
LogP4.22
Rot. Bonds5

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

N-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 129033037) has the molecular formula C16H12ClF2N5O and a molecular weight of 363.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
PubChem CID129033037
Molecular FormulaC16H12ClF2N5O
Molecular Weight363.76 g/mol
Exact Mass363.07
IUPAC NameN-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFC(F)c1nnc(-c2cnc(NC3(c4cccc(Cl)c4)CC3)nc2)o1
InChIInChI=1S/C16H12ClF2N5O/c17-11-3-1-2-10(6-11)16(4-5-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-3,6-8,12H,4-5H2,(H,20,21,22)
InChIKeyCAJWCPZUGRFFII-UHFFFAOYSA-N
XLogP4.22
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 129033037) is N-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is FC(F)c1nnc(-c2cnc(NC3(c4cccc(Cl)c4)CC3)nc2)o1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The InChIKey is CAJWCPZUGRFFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N5O/c17-11-3-1-2-10(6-11)16(4-5-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-3,6-8,12H,4-5H2,(H,20,21,22).
What are the key properties of N-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
N-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine has a molecular weight of 363.76 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 129033037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).