N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C15H13ClF4N4 — CID 133438923

IUPACN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(N2CCC(Nc3nccc(C(F)(F)F)n3)C2)cc1Cl
InChIInChI=1S/C15H13ClF4N4/c16-11-7-10(1-2-12(11)17)24-6-4-9(8-24)22-14-21-5-3-13(23-14)15(18,19)20/h1-3,5,7,9H,4,6,8H2,(H,21,22,23)
InChIKeyOAJOBHSRVAVLDN-UHFFFAOYSA-N
MW360.74 g/mol
LogP3.98
Rot. Bonds3

About N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 133438923) has the molecular formula C15H13ClF4N4 and a molecular weight of 360.74 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID133438923
Molecular FormulaC15H13ClF4N4
Molecular Weight360.74 g/mol
Exact Mass360.08
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(N2CCC(Nc3nccc(C(F)(F)F)n3)C2)cc1Cl
InChIInChI=1S/C15H13ClF4N4/c16-11-7-10(1-2-12(11)17)24-6-4-9(8-24)22-14-21-5-3-13(23-14)15(18,19)20/h1-3,5,7,9H,4,6,8H2,(H,21,22,23)
InChIKeyOAJOBHSRVAVLDN-UHFFFAOYSA-N
XLogP3.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.74
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-5-methylpyrimidin-2-amine
CID 133438905
N-(1-cyclopentylpyrrolidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133292243
N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95331385
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-nitropyridin-2-amine
CID 133438863
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine;hydroiodide
CID 109463695
N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146102398
4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171994408
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine
CID 133438868
N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 146079533
N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133381110
3-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-1,2-thiazole-4-carbonitrile
CID 133438925
4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
CID 133438936

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 133438923) is N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is Fc1ccc(N2CCC(Nc3nccc(C(F)(F)F)n3)C2)cc1Cl.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OAJOBHSRVAVLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF4N4/c16-11-7-10(1-2-12(11)17)24-6-4-9(8-24)22-14-21-5-3-13(23-14)15(18,19)20/h1-3,5,7,9H,4,6,8H2,(H,21,22,23).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 360.74 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 133438923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).