6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine

C16H20F3N7 — CID 146088252

IUPAC6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine
SMILESCNc1cc(N2CCCC2CNc2nnc(C)cc2C(F)(F)F)ncn1
InChIInChI=1S/C16H20F3N7/c1-10-6-12(16(17,18)19)15(25-24-10)21-8-11-4-3-5-26(11)14-7-13(20-2)22-9-23-14/h6-7,9,11H,3-5,8H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyKRMLMYYMRMWMPR-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.72
Rot. Bonds5

About 6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine

6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine (PubChem CID 146088252) has the molecular formula C16H20F3N7 and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine
PubChem CID146088252
Molecular FormulaC16H20F3N7
Molecular Weight367.38 g/mol
Exact Mass367.17
IUPAC Name6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine
SMILESCNc1cc(N2CCCC2CNc2nnc(C)cc2C(F)(F)F)ncn1
InChIInChI=1S/C16H20F3N7/c1-10-6-12(16(17,18)19)15(25-24-10)21-8-11-4-3-5-26(11)14-7-13(20-2)22-9-23-14/h6-7,9,11H,3-5,8H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyKRMLMYYMRMWMPR-UHFFFAOYSA-N
XLogP2.72
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine with MolForge

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Related Compounds

3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 146075842
3,3-difluoro-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]butanamide
CID 136536244
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
CID 146084662
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
CID 146089677
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133301785
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 146106903
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 146087317

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of 6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine (CID 146088252) is 6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine is CNc1cc(N2CCCC2CNc2nnc(C)cc2C(F)(F)F)ncn1.
What is the InChIKey of 6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is KRMLMYYMRMWMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N7/c1-10-6-12(16(17,18)19)15(25-24-10)21-8-11-4-3-5-26(11)14-7-13(20-2)22-9-23-14/h6-7,9,11H,3-5,8H2,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of 6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine?
6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 367.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 146088252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).