4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine

C13H17F4N3 — CID 165379156

IUPAC4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cc(CN2CCC(F)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H17F4N3/c1-8(2)11-5-10(7-20-4-3-9(14)6-20)18-12(19-11)13(15,16)17/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyOURVDGLYAXLKNG-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.16
Rot. Bonds3

About 4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine

4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 165379156) has the molecular formula C13H17F4N3 and a molecular weight of 291.29 g/mol. Its IUPAC name is 4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID165379156
Molecular FormulaC13H17F4N3
Molecular Weight291.29 g/mol
Exact Mass291.14
IUPAC Name4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cc(CN2CCC(F)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H17F4N3/c1-8(2)11-5-10(7-20-4-3-9(14)6-20)18-12(19-11)13(15,16)17/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyOURVDGLYAXLKNG-UHFFFAOYSA-N
XLogP3.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Jnj-39758979
CID 24994634
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-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 53378928
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 118720437
N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 73439395
2-(1-Cyclohexylpyrrolidin-3-yl)-4,6-dimethylpyrimidine
CID 110269100
2-Chloro-4-isopropyl-6-(trifluoromethyl)pyrimidine
CID 82192180
JNJ-39758979 dihydrochloride
CID 129628806
InChI=1/C10H16N2/c1-7-6-9(10(3,4)5)12-8(2)11-7/h6H,1-5H
CID 13839704
4-Tert-butyl-2,6-bis(trifluoromethyl)pyrimidine
CID 13166297
4-Propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82192734

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 165379156) is 4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1cc(CN2CCC(F)C2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is OURVDGLYAXLKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N3/c1-8(2)11-5-10(7-20-4-3-9(14)6-20)18-12(19-11)13(15,16)17/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 291.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoropyrrolidin-1-yl)methyl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 165379156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).