5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one

C17H20F2N6O — CID 175650080

IUPAC5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one
SMILESCN(c1cc(C(F)F)nc(C2CC2)n1)C1CN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C17H20F2N6O/c1-23(12-8-25(9-12)11-5-15(26)24(2)20-7-11)14-6-13(16(18)19)21-17(22-14)10-3-4-10/h5-7,10,12,16H,3-4,8-9H2,1-2H3
InChIKeyUQHRLXPICULBLR-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.71
Rot. Bonds5

About 5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one

5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 175650080) has the molecular formula C17H20F2N6O and a molecular weight of 362.38 g/mol. Its IUPAC name is 5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one
PubChem CID175650080
Molecular FormulaC17H20F2N6O
Molecular Weight362.38 g/mol
Exact Mass362.17
IUPAC Name5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one
SMILESCN(c1cc(C(F)F)nc(C2CC2)n1)C1CN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C17H20F2N6O/c1-23(12-8-25(9-12)11-5-15(26)24(2)20-7-11)14-6-13(16(18)19)21-17(22-14)10-3-4-10/h5-7,10,12,16H,3-4,8-9H2,1-2H3
InChIKeyUQHRLXPICULBLR-UHFFFAOYSA-N
XLogP1.71
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one (CID 175650080) is 5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one is CN(c1cc(C(F)F)nc(C2CC2)n1)C1CN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is UQHRLXPICULBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N6O/c1-23(12-8-25(9-12)11-5-15(26)24(2)20-7-11)14-6-13(16(18)19)21-17(22-14)10-3-4-10/h5-7,10,12,16H,3-4,8-9H2,1-2H3.
What are the key properties of 5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one?
5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 362.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 175650080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).