N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C9H11F3N4 — CID 125498682

IUPACN-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(N[C@@H]2CCNC2)nc1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)6-3-14-8(15-4-6)16-7-1-2-13-5-7/h3-4,7,13H,1-2,5H2,(H,14,15,16)/t7-/m1/s1
InChIKeyFSUJXJZFWQTWEB-SSDOTTSWSA-N
MW232.21 g/mol
LogP1.27
Rot. Bonds2

About N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 125498682) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID125498682
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC NameN-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(N[C@@H]2CCNC2)nc1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)6-3-14-8(15-4-6)16-7-1-2-13-5-7/h3-4,7,13H,1-2,5H2,(H,14,15,16)/t7-/m1/s1
InChIKeyFSUJXJZFWQTWEB-SSDOTTSWSA-N
XLogP1.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168827322
5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974701
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine
CID 148694328
5-(piperidin-4-ylmethoxy)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 123875025
4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82191941
N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661
N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 79741047
5-cyclohexyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116974757
N-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 114042706

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 125498682) is N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(N[C@@H]2CCNC2)nc1.
What is the InChIKey of N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FSUJXJZFWQTWEB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)6-3-14-8(15-4-6)16-7-1-2-13-5-7/h3-4,7,13H,1-2,5H2,(H,14,15,16)/t7-/m1/s1.
What are the key properties of N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 232.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 125498682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).