4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C11H15F3N4 — CID 143737891

IUPAC4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESNc1nc(CCC(F)(F)F)cc(N2CCCC2)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)4-3-8-7-9(17-10(15)16-8)18-5-1-2-6-18/h7H,1-6H2,(H2,15,16,17)
InChIKeyAYICUOGOIGLGAW-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.15
Rot. Bonds3

About 4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine

4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 143737891) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID143737891
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESNc1nc(CCC(F)(F)F)cc(N2CCCC2)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)4-3-8-7-9(17-10(15)16-8)18-5-1-2-6-18/h7H,1-6H2,(H2,15,16,17)
InChIKeyAYICUOGOIGLGAW-UHFFFAOYSA-N
XLogP2.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-39758979
CID 24994634
3-nonyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-8-ium-1-amine
CID 134155463
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624148
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149
4-[(3R)-3-aminopyrrolidin-1-yl]-6-ethylpyrimidin-2-amine
CID 53258370
4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine
CID 53378711
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 53378928
6-Ethyl-2,4-diisobutylaminopyrimidine
CID 25133613
(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 118720433
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 118720437

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of 4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 143737891) is 4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for 4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine is Nc1nc(CCC(F)(F)F)cc(N2CCCC2)n1.
What is the InChIKey of 4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is AYICUOGOIGLGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)4-3-8-7-9(17-10(15)16-8)18-5-1-2-6-18/h7H,1-6H2,(H2,15,16,17).
What are the key properties of 4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 260.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 143737891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).