N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

C12H14F3N5 — CID 32877986

IUPACN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1c([C@H](C)Nc2nccc(C(F)(F)F)n2)cnn1C
InChIInChI=1S/C12H14F3N5/c1-7(9-6-17-20(3)8(9)2)18-11-16-5-4-10(19-11)12(13,14)15/h4-7H,1-3H3,(H,16,18,19)/t7-/m0/s1
InChIKeyFRAOIVWQMDLTAU-ZETCQYMHSA-N
MW285.27 g/mol
LogP2.71
Rot. Bonds3

About N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 32877986) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID32877986
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1c([C@H](C)Nc2nccc(C(F)(F)F)n2)cnn1C
InChIInChI=1S/C12H14F3N5/c1-7(9-6-17-20(3)8(9)2)18-11-16-5-4-10(19-11)12(13,14)15/h4-7H,1-3H3,(H,16,18,19)/t7-/m0/s1
InChIKeyFRAOIVWQMDLTAU-ZETCQYMHSA-N
XLogP2.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 32877986) is N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1c([C@H](C)Nc2nccc(C(F)(F)F)n2)cnn1C.
What is the InChIKey of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FRAOIVWQMDLTAU-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-7(9-6-17-20(3)8(9)2)18-11-16-5-4-10(19-11)12(13,14)15/h4-7H,1-3H3,(H,16,18,19)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 285.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 32877986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).