N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C15H15F4N3 — CID 95561128

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESC[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1ccc(F)cc1
InChIInChI=1S/C15H15F4N3/c1-10(11-2-4-12(16)5-3-11)21-14-20-9-7-13(22-14)6-8-15(17,18)19/h2-5,7,9-10H,6,8H2,1H3,(H,20,21,22)/t10-/m1/s1
InChIKeyFGMBPWUCYNNYSY-SNVBAGLBSA-N
MW313.30 g/mol
LogP4.28
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 95561128) has the molecular formula C15H15F4N3 and a molecular weight of 313.30 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID95561128
Molecular FormulaC15H15F4N3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESC[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1ccc(F)cc1
InChIInChI=1S/C15H15F4N3/c1-10(11-2-4-12(16)5-3-11)21-14-20-9-7-13(22-14)6-8-15(17,18)19/h2-5,7,9-10H,6,8H2,1H3,(H,20,21,22)/t10-/m1/s1
InChIKeyFGMBPWUCYNNYSY-SNVBAGLBSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002
methyl (2R)-2-(4-hydroxyphenyl)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]acetate
CID 56877193
N-[1-(2-methylpyrazol-3-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56867835
4-[1-hydroxy-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]phenol
CID 56864205
4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;sulfane
CID 163562723
4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine
CID 107541907
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60726904
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
2-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956
4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56868088
N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95558339

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 95561128) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is C[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is FGMBPWUCYNNYSY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15F4N3/c1-10(11-2-4-12(16)5-3-11)21-14-20-9-7-13(22-14)6-8-15(17,18)19/h2-5,7,9-10H,6,8H2,1H3,(H,20,21,22)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 313.30 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 95561128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).