2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine

C20H18F2N6O — CID 171576676

IUPAC2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(-c2cnnc(Nc3ccnc(N4CC5CC5C4)n3)c2)cc1
InChIInChI=1S/C20H18F2N6O/c21-19(22)29-16-3-1-12(2-4-16)13-8-18(27-24-9-13)25-17-5-6-23-20(26-17)28-10-14-7-15(14)11-28/h1-6,8-9,14-15,19H,7,10-11H2,(H,23,25,26,27)
InChIKeyGKFZBVGACOOWNF-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.73
Rot. Bonds6

About 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine

2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine (PubChem CID 171576676) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
PubChem CID171576676
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(-c2cnnc(Nc3ccnc(N4CC5CC5C4)n3)c2)cc1
InChIInChI=1S/C20H18F2N6O/c21-19(22)29-16-3-1-12(2-4-16)13-8-18(27-24-9-13)25-17-5-6-23-20(26-17)28-10-14-7-15(14)11-28/h1-6,8-9,14-15,19H,7,10-11H2,(H,23,25,26,27)
InChIKeyGKFZBVGACOOWNF-UHFFFAOYSA-N
XLogP3.73
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 171576688
5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine
CID 169200912
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 176800995
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-fluoropiperidin-1-yl)pyrimidin-4-amine;ethane
CID 169200961
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 176801044
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 169200837
N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen
CID 169200827
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(2-fluoro-4-methoxyphenyl)pyridazin-3-yl]pyrimidin-4-amine
CID 169200487
4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine
CID 169200634
5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane
CID 169200353
N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 154755411
4-[4-(difluoromethoxy)phenyl]-6-[[2-(2,6-dimethylmorpholin-4-yl)-5-fluoropyrimidin-4-yl]amino]pyridazine-3-carboxylic acid
CID 176801035

Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine (CID 171576676) is 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine is FC(F)Oc1ccc(-c2cnnc(Nc3ccnc(N4CC5CC5C4)n3)c2)cc1.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
The InChIKey is GKFZBVGACOOWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c21-19(22)29-16-3-1-12(2-4-16)13-8-18(27-24-9-13)25-17-5-6-23-20(26-17)28-10-14-7-15(14)11-28/h1-6,8-9,14-15,19H,7,10-11H2,(H,23,25,26,27).
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine has a molecular weight of 396.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171576676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).