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

C10H14F3N5 — CID 90655031

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C10H14F3N5/c1-15-6-2-3-18(5-6)8-4-7(10(11,12)13)16-9(14)17-8/h4,6,15H,2-3,5H2,1H3,(H2,14,16,17)/t6-/m1/s1
InChIKeyZSNJGYMDDSYJHS-ZCFIWIBFSA-N
MW261.25 g/mol
LogP0.88
Rot. Bonds2

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

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 90655031) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID90655031
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C10H14F3N5/c1-15-6-2-3-18(5-6)8-4-7(10(11,12)13)16-9(14)17-8/h4,6,15H,2-3,5H2,1H3,(H2,14,16,17)/t6-/m1/s1
InChIKeyZSNJGYMDDSYJHS-ZCFIWIBFSA-N
XLogP0.88
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.88
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-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 90655031) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine is CN[C@@H]1CCN(c2cc(C(F)(F)F)nc(N)n2)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZSNJGYMDDSYJHS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14F3N5/c1-15-6-2-3-18(5-6)8-4-7(10(11,12)13)16-9(14)17-8/h4,6,15H,2-3,5H2,1H3,(H2,14,16,17)/t6-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 261.25 g/mol, XLogP of 0.88, 2 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-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 90655031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).