N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C14H15F3N6 — CID 171704970

IUPACN-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(N2CCC(Nc3cc(C(F)(F)F)ncn3)C2)nn1
InChIInChI=1S/C14H15F3N6/c1-9-2-3-13(22-21-9)23-5-4-10(7-23)20-12-6-11(14(15,16)17)18-8-19-12/h2-3,6,8,10H,4-5,7H2,1H3,(H,18,19,20)
InChIKeyDKSWDNPLITXEAO-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.28
Rot. Bonds3

About N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 171704970) has the molecular formula C14H15F3N6 and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID171704970
Molecular FormulaC14H15F3N6
Molecular Weight324.31 g/mol
Exact Mass324.13
IUPAC NameN-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccc(N2CCC(Nc3cc(C(F)(F)F)ncn3)C2)nn1
InChIInChI=1S/C14H15F3N6/c1-9-2-3-13(22-21-9)23-5-4-10(7-23)20-12-6-11(14(15,16)17)18-8-19-12/h2-3,6,8,10H,4-5,7H2,1H3,(H,18,19,20)
InChIKeyDKSWDNPLITXEAO-UHFFFAOYSA-N
XLogP2.28
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 171704970) is N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1ccc(N2CCC(Nc3cc(C(F)(F)F)ncn3)C2)nn1.
What is the InChIKey of N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DKSWDNPLITXEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6/c1-9-2-3-13(22-21-9)23-5-4-10(7-23)20-12-6-11(14(15,16)17)18-8-19-12/h2-3,6,8,10H,4-5,7H2,1H3,(H,18,19,20).
What are the key properties of N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 324.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 171704970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).