N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C13H12F3N5 — CID 146079533

IUPACN-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CN(c3ccccn3)C2)n1
InChIInChI=1S/C13H12F3N5/c14-13(15,16)10-4-6-18-12(20-10)19-9-7-21(8-9)11-3-1-2-5-17-11/h1-6,9H,7-8H2,(H,18,19,20)
InChIKeyZJURPEISDDNSSL-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.19
Rot. Bonds3

About N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 146079533) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID146079533
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC NameN-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CN(c3ccccn3)C2)n1
InChIInChI=1S/C13H12F3N5/c14-13(15,16)10-4-6-18-12(20-10)19-9-7-21(8-9)11-3-1-2-5-17-11/h1-6,9H,7-8H2,(H,18,19,20)
InChIKeyZJURPEISDDNSSL-UHFFFAOYSA-N
XLogP2.19
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 146079533) is N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NC2CN(c3ccccn3)C2)n1.
What is the InChIKey of N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZJURPEISDDNSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c14-13(15,16)10-4-6-18-12(20-10)19-9-7-21(8-9)11-3-1-2-5-17-11/h1-6,9H,7-8H2,(H,18,19,20).
What are the key properties of N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 295.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 146079533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).