(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine

C8H10F3N3 — CID 104941101

IUPAC(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
SMILESCc1nccc([C@@H](N)CC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-5-13-3-2-7(14-5)6(12)4-8(9,10)11/h2-3,6H,4,12H2,1H3/t6-/m0/s1
InChIKeyYYEBFZSNJKSFRA-LURJTMIESA-N
MW205.18 g/mol
LogP1.74
Rot. Bonds2

About (1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine

(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine (PubChem CID 104941101) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
PubChem CID104941101
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
SMILESCc1nccc([C@@H](N)CC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-5-13-3-2-7(14-5)6(12)4-8(9,10)11/h2-3,6H,4,12H2,1H3/t6-/m0/s1
InChIKeyYYEBFZSNJKSFRA-LURJTMIESA-N
XLogP1.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
3-amino-3-(2-methylpyrimidin-4-yl)propanamide
CID 115527138
1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469
(1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine
CID 130641836
3-methyl-1-(2-methylpyrimidin-4-yl)hexan-1-amine
CID 115530358
2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530048
ethyl (3R)-3-amino-3-(2-methylpyrimidin-4-yl)propanoate
CID 115527131
2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329452
(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115530155
2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530243
1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
CID 115530277
2-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 104854561

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine (CID 104941101) is (1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine is Cc1nccc([C@@H](N)CC(F)(F)F)n1.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine?
The InChIKey is YYEBFZSNJKSFRA-LURJTMIESA-N. The full InChI is InChI=1S/C8H10F3N3/c1-5-13-3-2-7(14-5)6(12)4-8(9,10)11/h2-3,6H,4,12H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine?
(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine has a molecular weight of 205.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine is sourced from PubChem (CID 104941101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).