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

C16H12ClF2N5O — CID 175168537

IUPAC4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nnc(C(F)F)o2)c(C2(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H12ClF2N5O/c17-10-4-2-1-3-9(10)16(5-6-16)11-8(7-21-15(20)22-11)13-23-24-14(25-13)12(18)19/h1-4,7,12H,5-6H2,(H2,20,21,22)
InChIKeySPWHGJPBFQPRSD-UHFFFAOYSA-N
MW363.76 g/mol
LogP3.78
Rot. Bonds4

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

4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 175168537) has the molecular formula C16H12ClF2N5O and a molecular weight of 363.76 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
PubChem CID175168537
Molecular FormulaC16H12ClF2N5O
Molecular Weight363.76 g/mol
Exact Mass363.07
IUPAC Name4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nnc(C(F)F)o2)c(C2(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H12ClF2N5O/c17-10-4-2-1-3-9(10)16(5-6-16)11-8(7-21-15(20)22-11)13-23-24-14(25-13)12(18)19/h1-4,7,12H,5-6H2,(H2,20,21,22)
InChIKeySPWHGJPBFQPRSD-UHFFFAOYSA-N
XLogP3.78
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(2,3-dichlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 175168521
4-[1-(2-chloro-4-fluorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 172728363
N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032716
2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 162351204
spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine
CID 58233785
N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032936
2-N-(3-chloro-4-methylsulfonylphenyl)-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidine-2,4-diamine;2-phenylethanol
CID 167516813
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-[4-(2-chlorophenyl)oxan-4-yl]-5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazole
CID 95617858
1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859434
2-[2-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3H-isoindol-1-one
CID 138598160
N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane
CID 145295765

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 175168537) is 4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is Nc1ncc(-c2nnc(C(F)F)o2)c(C2(c3ccccc3Cl)CC2)n1.
What is the InChIKey of 4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The InChIKey is SPWHGJPBFQPRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N5O/c17-10-4-2-1-3-9(10)16(5-6-16)11-8(7-21-15(20)22-11)13-23-24-14(25-13)12(18)19/h1-4,7,12H,5-6H2,(H2,20,21,22).
What are the key properties of 4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
4-[1-(2-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 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 175168537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).