4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine

C9H11F3N4 — CID 170783848

IUPAC4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)c(C2CCNC2)n1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)6-4-15-8(13)16-7(6)5-1-2-14-3-5/h4-5,14H,1-3H2,(H2,13,15,16)
InChIKeyRRZOZTHONCFXGP-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.15
Rot. Bonds1

About 4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine

4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 170783848) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID170783848
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)c(C2CCNC2)n1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)6-4-15-8(13)16-7(6)5-1-2-14-3-5/h4-5,14H,1-3H2,(H2,13,15,16)
InChIKeyRRZOZTHONCFXGP-UHFFFAOYSA-N
XLogP1.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine (CID 170783848) is 4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(C(F)(F)F)c(C2CCNC2)n1.
What is the InChIKey of 4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RRZOZTHONCFXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)6-4-15-8(13)16-7(6)5-1-2-14-3-5/h4-5,14H,1-3H2,(H2,13,15,16).
What are the key properties of 4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?
4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 232.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 170783848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).