[2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine

C13H20F3N5 — CID 80943836

IUPAC[2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H20F3N5/c1-2-3-10-18-11(20-17)8-12(19-10)21-6-4-9(5-7-21)13(14,15)16/h8-9H,2-7,17H2,1H3,(H,18,19,20)
InChIKeyVDZNDNFCLFGALY-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.49
Rot. Bonds4

About [2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine

[2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine (PubChem CID 80943836) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is [2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
PubChem CID80943836
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name[2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H20F3N5/c1-2-3-10-18-11(20-17)8-12(19-10)21-6-4-9(5-7-21)13(14,15)16/h8-9H,2-7,17H2,1H3,(H,18,19,20)
InChIKeyVDZNDNFCLFGALY-UHFFFAOYSA-N
XLogP2.49
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-propyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 13393618
[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80924868
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80946979
[6-(8-azaspiro[4.5]decan-8-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80944594
N-ethyl-2-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847527
N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one
CID 80946966
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409168
[6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947173
4-(6-hydrazinyl-2-propylpyrimidin-4-yl)piperazin-2-one
CID 80947659
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629749
(2-ethyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 80937224

Frequently Asked Questions

What is the IUPAC name of [2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine (CID 80943836) is [2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine is CCCc1nc(NN)cc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of [2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The InChIKey is VDZNDNFCLFGALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-2-3-10-18-11(20-17)8-12(19-10)21-6-4-9(5-7-21)13(14,15)16/h8-9H,2-7,17H2,1H3,(H,18,19,20).
What are the key properties of [2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
[2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine has a molecular weight of 303.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80943836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).