N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C17H19F3N6S — CID 126889914

IUPACN-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(c3cc4c(nn3)CCSC4)CC2)ncn1
InChIInChI=1S/C17H19F3N6S/c18-17(19,20)14-8-15(22-10-21-14)23-12-1-4-26(5-2-12)16-7-11-9-27-6-3-13(11)24-25-16/h7-8,10,12H,1-6,9H2,(H,21,22,23)
InChIKeyQUGIXWGYDWTVEX-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.16
Rot. Bonds3

About N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889914) has the molecular formula C17H19F3N6S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889914
Molecular FormulaC17H19F3N6S
Molecular Weight396.44 g/mol
Exact Mass396.13
IUPAC NameN-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(c3cc4c(nn3)CCSC4)CC2)ncn1
InChIInChI=1S/C17H19F3N6S/c18-17(19,20)14-8-15(22-10-21-14)23-12-1-4-26(5-2-12)16-7-11-9-27-6-3-13(11)24-25-16/h7-8,10,12H,1-6,9H2,(H,21,22,23)
InChIKeyQUGIXWGYDWTVEX-UHFFFAOYSA-N
XLogP3.16
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889915
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889699
N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171704970
4-N-cyclopropyl-4-N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-N,6-N-dimethylpyrimidine-4,6-diamine
CID 126891673
6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888327
N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889693
N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889695
N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887477
N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889764
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171326775
2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929069
3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one
CID 126889834

Frequently Asked Questions

What is the IUPAC name of N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889914) is N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NC2CCN(c3cc4c(nn3)CCSC4)CC2)ncn1.
What is the InChIKey of N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QUGIXWGYDWTVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6S/c18-17(19,20)14-8-15(22-10-21-14)23-12-1-4-26(5-2-12)16-7-11-9-27-6-3-13(11)24-25-16/h7-8,10,12H,1-6,9H2,(H,21,22,23).
What are the key properties of N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 396.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).