4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C11H16F3N5 — CID 118720437

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(CC(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C11H16F3N5/c1-16-7-2-3-19(6-7)9-4-8(5-11(12,13)14)17-10(15)18-9/h4,7,16H,2-3,5-6H2,1H3,(H2,15,17,18)/t7-/m1/s1
InChIKeyNCSPHUIPPNRUEE-SSDOTTSWSA-N
MW275.28 g/mol
LogP0.96
Rot. Bonds3

About 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 118720437) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID118720437
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(CC(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C11H16F3N5/c1-16-7-2-3-19(6-7)9-4-8(5-11(12,13)14)17-10(15)18-9/h4,7,16H,2-3,5-6H2,1H3,(H2,15,17,18)/t7-/m1/s1
InChIKeyNCSPHUIPPNRUEE-SSDOTTSWSA-N
XLogP0.96
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 118720437) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine is CN[C@@H]1CCN(c2cc(CC(F)(F)F)nc(N)n2)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is NCSPHUIPPNRUEE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16F3N5/c1-16-7-2-3-19(6-7)9-4-8(5-11(12,13)14)17-10(15)18-9/h4,7,16H,2-3,5-6H2,1H3,(H2,15,17,18)/t7-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 275.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 118720437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).