N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine

C10H13F3N4 — CID 113221365

IUPACN-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NN2CCCCC2)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-4-5-14-9(15-8)16-17-6-2-1-3-7-17/h4-5H,1-3,6-7H2,(H,14,15,16)
InChIKeyQDTCBIABXILDHC-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.31
Rot. Bonds2

About N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine

N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 113221365) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID113221365
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC NameN-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NN2CCCCC2)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-4-5-14-9(15-8)16-17-6-2-1-3-7-17/h4-5H,1-3,6-7H2,(H,14,15,16)
InChIKeyQDTCBIABXILDHC-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-4-amine
CID 83026552
1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
CID 115584173
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N-(3-ethyl-2-pyrrolidin-1-ylpentyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 71684743
N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 52567449
N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 97208706
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
N-(1-cyclopentylpyrrolidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133292243
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95334464
N-[4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)-1-bicyclo[2.2.2]octanyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 11247161
N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 65029086
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 52678059

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine (CID 113221365) is N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NN2CCCCC2)n1.
What is the InChIKey of N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QDTCBIABXILDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)8-4-5-14-9(15-8)16-17-6-2-1-3-7-17/h4-5H,1-3,6-7H2,(H,14,15,16).
What are the key properties of N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine?
N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 113221365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).