1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine

C11H15F3N4 — CID 121498902

IUPAC1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine
SMILESCc1nc(C(F)(F)F)ncc1CN1CCC(N)C1
InChIInChI=1S/C11H15F3N4/c1-7-8(5-18-3-2-9(15)6-18)4-16-10(17-7)11(12,13)14/h4,9H,2-3,5-6,15H2,1H3
InChIKeyOEIUZOFDMFMVMZ-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.34
Rot. Bonds2

About 1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine

1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine (PubChem CID 121498902) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine
PubChem CID121498902
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine
SMILESCc1nc(C(F)(F)F)ncc1CN1CCC(N)C1
InChIInChI=1S/C11H15F3N4/c1-7-8(5-18-3-2-9(15)6-18)4-16-10(17-7)11(12,13)14/h4,9H,2-3,5-6,15H2,1H3
InChIKeyOEIUZOFDMFMVMZ-UHFFFAOYSA-N
XLogP1.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-amine;dihydrochloride
CID 154906188
(3R,4R)-4-amino-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-ol;hydrochloride
CID 154905409
2-(1-methyltetrazol-5-yl)-4-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]morpholine
CID 162635741
(3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
CID 120836248
1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71644389
(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine
CID 125439521
(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine
CID 120966565
1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 167531121
1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine
CID 82401796
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine
CID 94339879

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine (CID 121498902) is 1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine is Cc1nc(C(F)(F)F)ncc1CN1CCC(N)C1.
What is the InChIKey of 1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine?
The InChIKey is OEIUZOFDMFMVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-7-8(5-18-3-2-9(15)6-18)4-16-10(17-7)11(12,13)14/h4,9H,2-3,5-6,15H2,1H3.
What are the key properties of 1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine?
1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine has a molecular weight of 260.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 121498902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).